tobacco
description
Transcript of tobacco
1
THE
CHEMICAL COMPONENTS
OF
TOBACCO
AND
TOBACCO SMOKE
by
Alan Rodgman
2828 Birchwood Drive
Winston-Salem, North Carolina,
27103-3410, USA
and
Thomas A. Perfetti
Perfetti and Perfetti, LLC
2116 New Castle Drive
Winston-Salem, North Carolina,
27103-5750, USA
ALPHABETICAL INDEX
TO COMPONENTS
IDENTIFIED
IN TOBACCO,
TOBACCO SMOKE,
AND
TOBACCO SUBSTITUTE
SMOKE
2
The Alphabetical Index to Components Identified in Tobacco, Tobacco
Smoke, and Tobacco Substitute Smoke The Index was created for two purposes. The first was to capture in one site all the basic information on
the identified tobacco and tobacco smoke components discussed in the chapters of the book. The
components in the Index are listed alphabetically. Secondly, the Index may permit the reader to easily
retrieve or search for information on a specific tobacco and/or smoke component or class of components so
that further study will be facilitated. To achieve these goals, the Index was constructed to include the
following: 1) The CAS No. for many of the components, 2) an indication of the component identification in
tobacco, tobacco smoke, or both, 3) the structure of many of the components, 4) the table number and
chapter in which the component is not only referenced but its properties are described, particularly if they
are considered adverse, 5) for multifunctional components, several chapters and table numbers are cited.
Additionally, the publishers of the book, Taylor and Francis Books/CRC Press of Boca Raton, FL, have
provided a Compact Disk (read-only memory) (CD-ROM) format of the book. Hopefully, the searchable
format of the CD-ROM will aid the reader in retrieving any desired information.
The Index comprises almost 8700 components completely or partially identified in tobacco, tobacco smoke,
and tobacco substitute smoke. It includes not only over 8400 identified components but also several
hundred compounds not identified in tobacco or tobacco smoke but reported by Doull et al. (1053) as
tobacco ingredients used in the U.S.A. and by Baker et al. (172a, 174b) as tobacco ingredients used outside
the U.S.A. and in a summary by Rodgman (3266) and in our Chapter 24. Because the transfer from a
tobacco product to smoke of very few of the added ingredients has been examined, they primarily are listed
as tobacco components. Exceptions include several humectants used in tobacco products for many years.
However, it should be noted that the detailed pyrolysis study by Baker and Bishop (172a) indicated that
many such added ingredients would transfer in part to MSS during the tobacco smoking process.
In some instances, the reader may wonder about the peculiar nature of the component listing. For example,
a tobacco smoke component initially reported as 2-butene was later shown to be present in the smoke as
cis- and trans-2-butene. Thus, three items are listed in the Index for 2-butene, namely, 2-butene (CAS No.
107-10-7), 2-butene, (Z)- (CAS No. 590-18-1), and 2-butene, (E)- (CAS No. 624-64-6). In the appropriate
chapter and table, Chapter 1, Table I.B-1, references to the identification of each are provided. 2-
Butenedioic acid is similarly listed in Chapter 4, Table IV.A-3 as 2-butenedioic acid (CAS No. 6915-18-0),
2-butenedioic acid, (Z)- (maleic acid) (CAS No. 110-16-7), 2-butenedioic acid, (E)- (fumaric acid) (CAS
No. 110-17-8).
The reader will also find in the Index certain broad classifications of components, like oxidases and free
radicals. These and similar examples in the Index are not there to confuse the reader, as many of the
3
individual components in the broad classifications have specific CAS numbers a. Generally, the references
associated with these classes of components (found within the chapters noted in the Index) will provide the
reader with information of a common nature. In nearly all cases, individual components such as ascorbate
oxidase, choline oxidase, cytochrome oxidase, and glycolate oxidase follow after the broadly classified
component, oxidase. Likewise, specific free radicals such as methyl-acyl radical, ethyl-acyl radical, and
propyl-acyl radical {2 isomers}may be found in the Index. For some components in the Index, several
partially identified isomers exist, their number noted, and included in the total number of components
identified in tobacco and/or smoke.
While the number of enzymes, genes, and nucleotides listed in the Index is fewer than 500, their known
number, as noted in Chapter 21, exceeds many thousands. The paltry number of enzymes, genes, and
nucleotides listed in Chapter 21, Table XXI-2 was never intended to represent the total biological agents
operating in the plant. Those selected for inclusion were from texts, research manuscripts, and patents
where active research was conducted in the past in attempts to better understand the physiology and
biochemistry of tobacco. As future genetic research develops, it is envisioned that the identity and function
of hundreds of thousands of additional chemicals will be published.
The authors hope that the format of the Index and accompanying CD-ROM will help the reader to reach a
better understanding of the components of tobacco and tobacco smoke.
a Each CAS Registry Number used throughout the Alphabetical Components Index and the various preceding chapters
is a Registered Trademark of the American Chemical Society.
4
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
Note: S = tobacco smoke component, T = tobacco component, ST = component of both S and T
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1. 202-03-9 1 0 0 Aceanthrylene
I.E
2. 340-99-8 1 0 0 Acenaphth[1,2-a]acenaphthylene
I.E
3. 71265-26-4 1 0 0 Acenaphth[1,2-a]acenaphthylene, methyl- I.E
4. 206-49-5 1 0 0 Acenaphtho[1,2-b]pyridine {7-azafluoranthene}
N
XVII.E
5. 208-96-8 1 0 0 Acenaphthylene 1 2
3
4
56
7
8
I.E
6. 83-32-9 1 0 0 Acenaphthylene, 1,2-dihydro- {acenaphthene}
I.E
7. 60684-29-9 1 0 0 Acenaphthylene, 1,2-dihydrodimethyl- I.E
8. 36541-21-6 1 0 0 Acenaphthylene, 1,2-dihydromethyl- I.E
9. 60826-72-4 1 0 0 Acenaphthylene, 1,2-dihydrotetramethyl- I.E
10. 60826-69-9 1 0 0 Acenaphthylene, 1,2-dihydrotrimethyl- I.E
11. 60826-68-8 1 0 0 Acenaphthylene, dimethyl- I.E
12. 19346-00-0 1 0 0 Acenaphthylene, 1,3-dimethyl- I.E
13. 58548-40-6 1 0 0 Acenaphthylene, diphenyl- I.E
14. 58548-38-2 1 0 0 Acenaphthylene, methyl- I.E
15. 19345-99-4 1 0 0 Acenaphthylene, 1-methyl- I.E
16. 19345-94-9 1 0 0 Acenaphthylene, 3-methyl- I.E
17. 19345-97-2 1 0 0 Acenaphthylene, 4-methyl- I.E
18. 19345-91-6 1 0 0 Acenaphthylene, 5-methyl- I.E
19. 60826-73-5 1 0 0 Acenaphthylene, tetramethyl- I.E
20. 60826-70-2 1 0 0 Acenaphthylene, trimethyl- I.E
21. 201-06-9 1 0 0 Acephenanthrylene
I.E
22. 6232-48-0 1 0 0 Acephenanthrylene, 4,5-dihydro- I.E
5
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
23. 75-07-0 1 0 0 Acetaldehyde H3C-CH=O III-12
24. 5371-49-3 1 0 0 Acetaldehyde, (acetyloxy)- H3C-COO-CH2-CH=O III-12
25. 6542-88-7 1 0 0 Acetaldehyde, amino- H2N-CH2-CH=O III-12, XII-2
26. 141-46-8 1 0 0 Acetaldehyde, hydroxy- {glycolaldehyde} HO-CH2-CH=O III-12, II.A-6
27. 1 0 0 Acetaldehyde, methoxy- H3C-O-CH2-CH=O III-12, X-2
28. 16825-04-0 0 1 0 Acetaldehyde, (2,6,6-trimethyl-4-oxo-2-cyclohexen-1-ylidene)-
H3C CH3
CH2-CH=O
CH3O
III-12, III-13
29. 60-35-5 1 0 0 Acetamide H3C-CO-NH2 XIII-1
30. 1113-68-4 1 1 1 Acetamide, N-acetyl-N-methyl- CH3
CO-CH3<H3C-CO-N
XIII-1
31. 1119-49-9 1 0 0 Acetamide, N-butyl- H3C-CO-NH-C4H9 XIII-1
32. 15972-60-8 0 1 0 Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)- {Alachlor®}
C2H5
N
CO-CH2-Cl
CH3
CH2-OCH3
XIII-1, XVIII.B-3,
XXI-3
33. 51218-45-2 0 1 0 Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)- {Metolachlor®}
C2H5
N
CO-CH2-Cl
CH3
CH-CH2-OCH3
CH3
X-2, XIII-1,
XVIII.B-3, XXI-3
34. 107-91-5 1 0 0 Acetamide, 2-cyano- NC-CH2-CO-NH2 XI-2, XIII-1
35. 57966-95-7 0 1 0 Acetamide, 2-cyano-2-methoxyimino-N-(ethylcarbamoyl)- {Cymoxanil®}
CN
O OO
N
NH
NH
XI-2, XIII-1, XXI-3
36. 685-91-6 1 0 0 Acetamide, N,N-diethyl- H3C-CO-N=(C2H5)2 XIII-1
37. 127-19-5 1 1 1 Acetamide, N,N-dimethyl H3C-CO-N=(CH3)2 XIII-1
38. 625-50-3 1 0 0 Acetamide, N-ethyl- H3C-CO-NH-C2H5 XIII-1
39. 38806-26-7 1 0 0 Acetamide, N-ethyl-N-methyl- CH3
C2H5<H3C-CO-N
XIII-1
40. 5663-62-7 1 0 0 Acetamide, N-(2-furanylmethyl)- X-2, XIII-1
41. 621-42-1 0 1 0 Acetamide, 3-hydroxyphenyl- IX-22, XIII-1
42. 79-16-3 1 0 0 Acetamide, N-methyl- H3C-CO-NH-CH3 XIII-1
43. 54824-90-7 1 0 0 Acetamide, N-(2-methylbutyl)- H3C-CO-NH-CH2-CH(CH3)-C2H5 XIII-1
44. 13434-12-3 0 1 0 Acetamide, N-(3-methylbutyl) H3C-CO-NH-(CH2)2-CH=(CH3)2 XIII-1
45. 1189-05-5 1 0 0 Acetamide, N-(1-methylpropyl)- H3C-CO-NH-CH(CH3)-C2H5 XIII-1
46. 1540-94-9 1 1 1 Acetamide, N-(2-methylpropyl)- H3C-CO-NH-CH2-CH=(CH3)2 XIII-1
47. 7737-16-8 1 0 0 Acetamide, N-(2-oxopropyl)- H3C-CO-NH-CH2-CO-CH3 III-13, XIII-1
48. 103-84-4 1 0 0 Acetamide, N-phenyl- H3C-CO-NH-C6H5 XIII-1
49. 877-95-2 1 0 0 Acetamide, N-(2-phenylethyl)- H3C-CO-NH-CH2-CH2-C6H5 XIII-1
50. 692-33-1 1 0 0 Acetamide, N-2-propenyl- H3C-CO-NH-CH2-CH=CH2 XIII-1
51. 5331-48-6 1 0 0 Acetamide, N-propyl- H3C-CO-NH-C3H7 XIII-1
52. 354-38-1 1 0 0 Acetamide, 2,2,2-trifluoro- F3C-CO-NH2 XIII-1, XVIII.B-3
6
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
53. 16752-77-5 0 1 0 Acetamidic acid, thio-, N-[(methylcarbamoyl)oxy]-, methyl ester {Methomyl®}
S N
O
O NH
XIII-1, XXI-3
54. 1 0 0 Acetate H3C-COO- XX-6
55. 64-19-7 1 1 1 Acetic acid H3C-COOH IV.A-3
56. 13831-30-6 1 1 1 Acetic acid, (acetyloxy)- H3C-COO-CH2-COOH IV.A-3, V-3
57. 108-24-7 1 0 0 Acetic acid, anhydride (H3C-CO)2O VII-1
58. 162188-92-3 0 1 0 Acetic acid, bromo-, 7,9,9-trimethyl-8-oxo-1,4-
dioxaspiro[4.5]dec-7-yl ester, (±)-
V-3, XVIII.B-3
59. 123-86-4 1 1 1 Acetic acid, butyl ester {butyl acetate} H3C-COO-C4H9 V-3
60. 79-43-6 0 1 0 Acetic acid, dichloro- Cl2CH-COOH IV.A-3
61. 94-75-7 0 1 0 Acetic acid, 2,4-dichlorophenoxy- {2,4-D} IV.A-3, X-2, XXI-3
62. 162188-93-4 0 1 0 Acetic acid, (diethoxyphosphinyl)-, 7,9,9-trimethyl-8-
oxo-1,4-dioxaspiro[4.5]dec-7-yl ester, (±)-
V-3, X-2
63. 32833-96-8 0 1 0 Acetic acid, (dimethylamino)oxo- (H3C)2=N-CO-COOH IV.A-3, V-3
64. 108-05-4 1 0 0 Acetic acid, ethenyl ester {vinyl acetate} H3C-COO-CH=CH2 V-3
65. 141-78-6 1 1 1 Acetic acid, ethyl ester {ethyl acetate} H3C-COO-C2H5 V-3
66. 123617-80-1 1 0 0 Acetic acid, 2-furanyl-
OCH2-COOH
IV.A-3, X-2
67. 112-06-1 0 1 0 Acetic acid, heptyl ester H3C-COO-(CH2)6-CH3 V-3
68. 629-70-9 0 1 0 Acetic acid, 1-hexadecyl ester H3C-COO-(CH2)15-CH3 V-3
69. 142-92-7 0 1 0 Acetic acid, hexyl ester {hexyl acetate} H3C-COO-(CH2)5-CH3 V-3
70. 79-14-1 1 1 1 Acetic acid, hydroxy- {glycolic acid} HOCH2-COOH II.A-5, IV.A-3
71. 623-50-7 1 0 0 Acetic acid, hydroxy-, ethyl ester HOCH2-COO-C2H5 II.A-5, V-3
72. 61892-60-2 1 1 1 Acetic acid, hydroxy-, 2-hydroxypropyl ester HOCH2-COO-CH2-CHOH-CH3 II.A-5, V-3
73. 96-35-5 1 0 0 Acetic acid, hydroxy-, methyl ester HOCH2-COO-CH3 II.A-5, V-3
74. 90357-58-7 1 1 1 Acetic acid, hydroxy-, propyl ester HOCH2-COO-C3H7 II.A-5, V-3
75. 1 0 0 Acetic acid, hydroxymethyl ester H3C-COO-CH2OH II.A-5, V-3
76. 627-69-0 1 0 0 Acetic acid, 2-hydroxypropyl ester H3C-COO-CH2-CHOH-CH3 II.A-5, V-3
77. 625-45-6 0 1 0 Acetic acid, methoxy- H3CO-CH2-COOH IV.A-3, X-2
78. 79-20-9 1 1 1 Acetic acid, methyl ester H3C-COO-CH3 V-3
79. 0 1 0 Acetic acid, 2-methylbutyl ester H3C-COO-CH2-CH(CH3)-CH2-CH3 V-3
80. 123-92-2 0 1 0 Acetic acid, 3-methylbutyl ester H3C-COO-(CH2)2-CH=(CH3)2 V-3
81. 1191-16-8 0 1 0 Acetic acid, 3-methyl-2-butenyl ester H3C-COO-CH2-CH=C=(CH3)2 V-3
82. 108-21-4 1 1 1 Acetic acid, 1-methylethyl ester H3C-COO-CH=(CH3)2 V-3
83. 72360-04-4 1 0 0 Acetic acid, 2-(5-methylfuranyl)-
H3C CH2-COOHO
IV.A-3, X-2
84. 35897-16-6 0 1 0 Acetic acid, 2-methyl-3-pentyl ester H3C-COO-CH(C2H5)-CH=(CH3)2 V-3
85. 110-19-0 0 1 0 Acetic acid, 2-methylpropyl ester {isobutyl acetate} H3C-COO-CH2-CH=(CH3)2 V-3
86. 298-12-4 1 1 1 Acetic acid, oxo- {glyoxylic acid} O=CH-COOH IV.A-3
7
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
87. 1 0 0 Acetic acid, 2-oxopropyl ester H3C-COO-CH2-CO-CH3 III-13, V-3
88. 628-63-7 0 1 0 Acetic acid, pentyl ester H3C-COO-(CH2)4-CH3 V-3
89. 24851-98-7 0 1 0 Acetic acid, 2-pentyl-3-oxo-1-cyclopentyl-, methyl ester {methyl dihydrojasmonate}
V-3
90. 103-45-7 1 1 1 Acetic acid, 2-phenylethyl ester
{2-phenethyl acetate}
H3C-COO-(CH2)2-C6H5 V-3
91. 140-11-4 1 1 1 Acetic acid, phenylmethyl ester {benzyl acetate} H3C-COO-CH2-C6H5 V-3
92. 122-72-5 0 1 0 Acetic acid, phenylpropyl ester H3C-COO-(CH2)3-C6H5 V-3
93. 13147-57-4 0 1 0 Acetic acid, (phosphonoxy)- IV.A-3
94. 127-08-2 0 1 0 Acetic acid, potassium salt H3C-COO-K XX-6
95. 109-60-4 0 1 0 Acetic acid, propyl ester {propyl acetate} H3C-COO-(CH2)2-CH3 V-3
96. 127-09-3 0 1 0 Acetic acid, sodium salt H3C-COO-Na XX-6
97. 93-76-5 0 1 0 Acetic acid, 2,4,5-trichlorophenoxy- {2,4,5-T®}
O-CH2COOH
Cl
Cl
Cl
IV.A-3, X-2, XXI-3
98. 76-49-3 0 1 0 Acetic acid, endo-1,7,7-trimethylbicyclo[2,2,1]heptan-2-yl ester
{bornyl acetate}
V-3
99. 75-05-8 1 0 0 Acetonitrile H3C-CN XI-2
100. 926-64-7 1 0 0 Acetonitrile, (dimethylamino)- (H3C)2=N-CH2-CN XI-2
101. 107-16-4 1 0 0 Acetonitrile, hydroxy- HOCH2-CN II.A-5, XI-2
102. 4471-47-0 1 0 0 Acetonitrile, oxo- O=CH-CN III-12. XI-2
103. 0 1 0 Acetylserine sulfhydrylase XXII-2
104. 9040-07-7 0 1 0 Acetyltransferase, chloramphenicol XXII-2
105. 260-94-6 1 0 0 Acridine {benzo[b]quinoline}
N
XVII.E-6
106. 92-81-9 1 0 0 Acridine, 9,10-dihydro- {acridan}
NH
XVII.E-6
107. 6267-02-3 1 0 0 Acridine, 9,10-dihydro-9,9-dimethyl- {9,9-dimethylacridan}
XVII.E-6
108. 26914-16-9 1 0 0 Acridine, 9,10-dihydro-9,9-dimethyl-(1-methylethyl)- XVII.E-6
109. 63451-42-3 1 0 0 Acridine, 9,10-dihydro-9,9-dimethyl-2-(1-methylethyl)-
XVII.E-6
110. 64828-44-0 1 0 0 Acridine, ethyl- XVII.E-6
111. 54116-90-4 1 0 0 Acridine, methyl- XVII.E-6
112. 64828-45-1 1 0 0 Acridine, propyl- XVII.E-6
113. 7440-34-8 1 1 1 Actinium Ac XX-5
114. 20379-10-6, 0 1 0 Actinium, isotope of mass 226 226
Ac XX-5
115. 14331-83-0 0 1 0 Actinium, isotope of mass 228 228
Ac XX-5
116. 50-76-0 0 1 0 Actinomycin D XXI-3
117. 1 0 0 Acyl radical, methyl- COCH3 XXVII-1
118. 1 0 0 Acyl radical, ethyl- COCH2CH3 XXVII-1
8
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
119. 1 0 0 Acyl radical, propyl- {2 isomers} COCH2CH2CH3 XXVII-1
120. 1 0 0 Acyl radical, butyl- {3 isomers} COCH2CH2CH2CH3 XXVII-1
121. 141733-40-6 0 1 0 Acyltransferase, glycerol phosphate (Arabidopsis thaliana clone BX3.6/BB2.6 reduced)
XXII-2
122. 58-61-7 0 1 0 Adenosine NH2
HOCH2
OH
OH
N
N
O
N
N
II.A-5, VIII-3, XVII.E-6
123. 60-92-4 0 1 0 Adenosine, cyclic 3',5'-(hydrogen phosphate) II.A-5
124. 139636-55-8 0 1 0 Adenosine, 2'-deoxyadenylyl-(3'→5')-thymidylyl-
(3'→5')-2'-deoxyguanylyl-(3'→5')-2'-deoxyguanylyl-
(3'→5')-thymidylyl-(3'→5')-2'-deoxyguanylyl-
(3'→5')-thymidylyl-(3'→5')-thymidylyl-(3'→5')-
thymidylyl-(3'→5')-thymidylyl-(3'→5')-thymidylyl-
(3'→5')-2'-deoxyguanylyl-(3'→5')-2'-deoxyadenylyl-
(3'→5')-thymidylyl-(3'→5')-2'-deoxycytidylyl-
(3'→5')-thymidylyl-(3'→5')-2'-deoxyguanylyl-
(3'→5')-2'-deoxy-
XXII-2
125. 146689-29-4 0 1 0 Adenosine, 2'-deoxycytidylyl-(5'→3')-2'-
deoxycytidylyl-(5'→3')-2'-deoxyguanylyl-(5'→3')-2'-
deoxycytidylyl-(5'→3')-2'-deoxycytidylyl-(5'→3')-2'-
deoxyguanylyl-(5'→3')-2'-deoxy-
XXII-2
126. 28542-78-1 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)- II.A-5, VIII-3, XVII.E-6
127. 6025-53-2 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-, (E)- II.A-5, VIII-3, XVII.E-6
128. 15896-46-5 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-, (Z)- II.A-5, VIII-3, XVII.E-6
129. 26190-61-4 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-
II.A-5, VIII-3, XVII.E-6
130. 53274-45-6 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-, (E)-
II.A-5, VIII-3, XVII.E-6
131. 52049-48-6 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-, (Z)-
II.A-5, VIII-3, XVII.E-6
132. 22663-55-4 0 1 0 Adenosine, N-(4-hydroxy-3-methylbutyl)- II.A-5, VIII-3, XVII.E-6
133. 7724-76-7 0 1 0 Adenosine, N-(3-methyl-2-butenyl)- II.A-5, VIII-3, XVII.E-6
134. 75081-82-2 0 1 0 Adenosine, N-[3-methyl-4-[(O-phosphono-β-D-glucopyranosyl)oxy]-2-butenyl]-, (E)-
II.A-5, VIII-3, XVII.E-6
135. 4294-16-0 0 1 0 Adenosine, N-(phenylmethyl)- II.A-5, VIII-3, XVII.E-6
136. 56-65-5 0 1 0 Adenosine 5'-(tetrahydrogen triphosphate) II.A-5, VIII-3, XVII.E-6
137. 40922-97-2 0 1 0 Adenosine 5'-(tetrahydrogen triphosphate), N-(phenylmethyl)-
II.A-5
138. 58-64-0 0 1 0 Adenosine 5'-(trihydrogen diphosphate) II.A-5
139. 53-57-6 0 1 0 Adenosine 5'-(trihydrogen diphosphate), 2'-
(dihydrogen phosphate), P'→5'-ester with 1,4-
dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide
II.A-5, VIII-3, XVII.E-6
9
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
140. 53-59-8 0 1 0 Adenosine 5'-(trihydrogen diphosphate), 2'-
(dihydrogen phosphate), P'→5'-ester with 3-
(aminocarbonyl)-1-β-D-ribofuranosylpyridinium hydroxide, inner salt
II.A-5, X-2, XII-2, XVII.B-2
141. 7298-93-3 0 1 0 Adenosine 5'-(trihydrogen diphosphate), 5'→5'-ester
with 3-(aminocarbonyl)-1-α-D- ribofuranosylpyridinium hydroxide, inner salt
II.A-5, X-2, XII-2, XVII.B-2
142. 55030-93-8 0 1 0 Adenosine 5'-(trihydrogen diphosphate), N-(3-methyl-2-butenyl)-
II.A-5, V-3
143. 22732-83-8 0 1 0 Adenosine 5'-(trihydrogen pyrophosphate), mono-D-glucopyranosyl ester
II.A-5, VIII-3, XVII.E-6
144. 40811-89-0 0 1 0 Adenosine 5'-(trihydrogen diphosphate), N-(phenylmethyl)-
II.A-5, VIII-3, XVII.E-6
145. 58-68-4 0 1 0 Adenosine 5'-(trihydrogen diphosphate), P'→5'-
ester with 1,4-dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide
II.A-5, VIII-3, XVII.E-6
146. 53-84-9 0 1 0 Adenosine 5'-(trihydrogen diphosphate), P'→5'-
ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium hydroxide, inner salt
II.A-5, VIII-3, XVII.E-6
147. 9012-52-6 0 1 0 Adenosyltransferase, methionine XXII-2
148. 84-21-9 0 1 0 3'-Adenylic acid II.A-5, X-2, XII-2
149. 61-19-8 0 1 0 5'-Adenylic acid H2N
N
N
N N
OH
O
OH
CH2O--POH
OH
O
II.A-5, X-2,
XII-2
150. 20268-93-3 0 1 0 5'-Adenylic acid, N-(3-methyl-2-butenyl)- II.A-5, X-2, XII-2
151. 13484-66-7 0 1 0 5'-Adenylic acid, N-(phenylmethyl)- II.A-5, X-2, XII-2
152. 9012-39-9 0 1 0 Adenylyltransferase, sulfate XXII-2
153. 6898-94-8 1 1 1 Alanine IV.A-3, IV.B-7
154. 62-57-7 0 1 0 Alanine, 2-methyl- (CH3)2=C(NH2) COOH IV.A-3, IV.B-7
155. 13100-82-8 0 1 0 Alanine, 3-sulfo- HO-SO2-CH2-C(NH2) COOH IV.A-3, IV.B-7
156. 107-95-9 0 1 0 β-Alanine H2N-(CH2)2-COOH IV.A-3, IV.B-7
157. 79-83-4 0 1 0 β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-
IV.A-3, IV.B-7
158. 10478-42-9 1 1 1 β-Alanine, N-methyl-N-nitroso- = Propanoic acid, 3-(methylnitrosamino)- {NMPA}
H3C-N(NO)-(CH2)2-COOH IV.A-3, IV.B-7, XV-8
159. 133201-38-4 1 0 0 β-Alanine, N-(nitrosomethyl)- IV.A-3, IV.B-7, XV-8
160. 1 0 0 β-Alanine, N-methyl-N-nitroso-, methyl ester H3C-N(NO)-(CH2)2-COOCH3
IV.A-3, IV.B-7, XV-8
161. 923-16-0 0 1 0 D-Alanine, N-D-alanyl- H2N-(CH2)2-CO-NH-(CH2)2-COOH IV.A-3, IV.B-7
162. 56-41-7 1 1 1 L-α-Alanine H3C-CH(NH2)-COOH IV.A-3, IV.B-7
10
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
163. 52756-25-9 0 1 0 DL-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, methyl ester {Flamprop-methyl®}
F
Cl
N
O
C6H5
CH-CH3
H3C-OOC
XXI-3
164. 16124-24-6 0 1 0 L-Alanine, N-(1-deoxy-D-fructos-1-yl)- II.A-5, IV.A-3
165. 82560-54-1 0 1 0 β-Alanine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylethyl)-, ethyl ester {Benfuracarb®}
OOC-R
O
X-2, XVIII.B-3, XXI-3
R = -NH-S-N[CH(CH3)2]-(CH2)2-COOC2H5
166. 57646-30-7 0 1 0 DL-Alanine, N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl-, methyl ester {Furalaxyl®}
O
NO
O
O
X-2, XXI-3
167. 57837-19-1 0 1 0 DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester {Ridomil®} CH3
O
O
N
O
CH3
CH3
OCH3
H3C
X-2, XXI-3
168. 71626-11-4 0 1 0 DL-Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester {Benalaxyl®} O
NO
O
XXI-3
169. 9006-50-2 0 1 0 Albumin XXII-2
170. 9048-46-8 0 1 0 Albumins, blood serum XXII-2
171. 9024-52-6 0 1 0 Aldolase, fructose diphosphate XXII-2
172. 9026-94-2 0 1 0 Aldolase, phospho-2-keto-3-deoxyheptonate XXII-2
173. 145137-43-5 0 1 0 Aldolase, phospho-2-keto-3-deoxyheptonate (tobacco clone NtDAHPS-1 precursor reduced)
XXII-2
174. 1 0 0 Alkylaminocarbonyl radical, methyl- CONHCH3 XXVII-1
175. 1 0 0 Alkylaminocarbonyl radical, ethyl- CONHCH2CH3 XXVII-1
176. 1 0 0 Alkylaminocarbonyl radical, propyl- {2 isomers} CONHCH2CH2CH3 XXVII-1
177. 1 0 0 Alkylaminocarbonyl radical, butyl- {2 isomers} CONHCH2CH2CH2CH3 XXVII-1
178. 1 0 0 Alkylaminocarbonyl radical, pentyl- {3 isomers} CONHCH2CH2CH2CH2CH3 XXVII-1
179. 1 0 0 Alkylaminocarbonyl radical (unsaturated) C5H8NO XXVII-1
180. 1 0 0 Alkylaminocarbonyl radical (unsaturated) C7H12NO XXVII-1
181. 2595-97-3 0 1 0 D-Allose O OH
OHOH
HO
HO
II.A-5, VIII-3
182. 7429-90-5 1 1 1 Aluminum Al XX-5
183. 1344-28-1 0 1 0 Aluminum oxide Al2O3 XX-6
184. 9031-85-0 0 1 0 Aminoacyltransferase XXII-2
185. 9031-94-1 0 1 0 Aminopeptidase XXII-2
11
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
186. 9001-61-0 0 1 0 Aminopeptidase, cytosol XXII-2
187. 0 1 0 Aminopeptidase, leucine XXII-2
188. 37277-82-0 0 1 0 Aminopropyltransferase, putrescine XXII-2
189. 9031-66-7 0 1 0 Aminotransferase XXII-2
190. 9000-86-6 0 1 0 Aminotransferase, alanine XXII-2
191. 9000-97-9 0 1 0 Aminotransferase, aspartate XXII-2
192. 50812-10-7 0 1 0 Aminotransferase, glutamate-glyoxylate XXII-2
193. 9030-42-6 0 1 0 Aminotransferase, ornithine-keto acid XXII-2
194. 37259-57-7 0 1 0 Aminotransferase, serine-glyoxylate XXII-2
195. 7664-41-7 1 1 1 Ammonia NH3 XII-2
196. 9024-28-6 0 1 0 Ammonia-lyase, phenylalanine XXII-2
197. 14798-03-9 1 1 1 Ammonium NH4+1
XX-6
198. 53516-76-0 0 1 0 Ammonium chloride, alkyldimethylbenzyl- {Benazlkonium chloride®}
XVIII.B-3, XX1-3
199. 1336-21-6 0 1 0 Ammonium hydroxide NH4OH XX-6
200. 12135-76-1 0 1 0 Ammonium sulfide (NH4)2S XVIII.A-1, XX-6
201. 9000-92-4 0 1 0 Amylase XXII-2
202. 9000-90-2 0 1 0 Amylase, α- XXII-2
203. 9000-91-3 0 1 0 Amylase, β- XXII-2
204. 9067-73-6 0 1 0 Amylase, iso- XXII-2
205. 9005-84-9 0 1 0 Amylodextrin VIII-3
206. 9037-22-3 0 1 0 Amylopectin VIII-3
207. 9005-82-7 0 1 0 Amylose VIII-3
208. 32222-21-2 0 1 0 Androsta-3,5-dien-7-one
O
III-13
209. 0 1 0 Anhydrase, carbonate XXII-2
210. 189-58-2 1 0 0 Anthra[9,1,2-cde]benzo[h]cinnoline
XVII.E-6
211. 610-49-1 1 0 0 1-Anthracenamine NH2
1 2
3
45
6
7
8 9
10
XII-2
212. 779-03-3 1 0 0 9-Anthracenamine XII-2
213. 120-12-7 1 1 1 Anthracene 1
2
3
45
6
7
8 9
10
I.E-6
214. 1 0 0 Anthracene, alkyl- I.E-6
215. 613-31-0 1 0 0 Anthracene, 9,10-dihydro- I.E-6
216. 29063-00-1 1 0 0 Anthracene, dimethyl- I.E-6
12
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
217. 781-43-1 1 0 0 Anthracene, 9,10-dimethyl- I.E-6
218. 41637-86-9 1 0 0 Anthracene, ethyl- I.E-6
219. 605-83-4 1 0 0 Anthracene, 9-ethyl- I.E-6
220. 71265-29-7 1 0 0 Anthracene, ethylmethyl- I.E-6
221. 26914-18-1 1 0 0 Anthracene, methyl- I.E-6
222. 610-48-0 1 0 0 Anthracene, 1-methyl- I.E-6
223. 613-12-7 1 0 0 Anthracene, 2-methyl- I.E-6
224. 779-02-2 1 0 0 Anthracene, 9-methyl- I.E-6
225. 71265-30-0 1 0 0 Anthracene, propyl- I.E-6
226. 27358-28-7 1 0 0 Anthracene, trimethyl- I.E-6
227. 0 1 0 1,4-Anthracenedione, 2,3-dimethyl- 0
0
CH3
CH3
IX.B-2
228. 84-65-1 1 1 1 9,10-Anthracenedione {9,10-anthraquinone} O
O
1
2
2
4
IX.B-2, XXI-3
229. 20724-30-5 1 0 0 9,10-Anthracenedione, 1,2-diethyl- IX.B-2
230. 71265-31-1 1 0 0 9,10-Anthracenedione, dimethyl- IX.B-2
231. 1 0 0 9,10-Anthracenedione, 2,3-dimethyl- IX.B-2
232. 27936-34-1 1 0 0 9,10-Anthracenedione, methyl- IX.B-2
233. 84-54-8 1 1 1 9,10-Anthracenedione, 2-methyl- IX.B-2
234. 1 0 0 9,10-Anthracenedione, trimethyl- IX.B-2
235. 90-44-8 1 0 0 9(10H)-Anthracenone {anthrone}
2
3
45
6
7
8
10
1
9
O
III-13
236. 7440-36-0 1 1 1 Antimony Sb XX-5
237. 14683-10-4 1 1 1 Antimony, isotope of mass 124 124
Sb XX-5
238. 14331-88-5 0 1 0 Antimony, isotope of mass 129 129
Sb XX-5
239. 9000-95-7 0 1 0 Apyrase XXII-2
240. 11078-27-6 0 1 0 Arabinan II.A-5, VIII-3
241. 20261-96-5 1 1 1 Arabinohexonic acid, 3-deoxy-, γ-lactone II.A-5, VI-3, VIII-3
242. 42400-32-8 0 1 0 D-Arabinohexonic acid, 2-deoxy-, γ-lactone II.A-5, VI-3, VIII-3
243. 23675-06-1 0 1 0 α-D-Arabinohexopyranoside, 2-deoxy-α-D-arabino-hexopyranosyl 2-deoxy-
II.A-5, VIII-3
244. 154-17-6 0 1 0 D-Arabinohexose, 2-deoxy- II.A-5, VIII-3, X-2
245. 16449-30-2 0 1 0 D-Arabinohexose, 2-deoxy-4-O-β-D-glucopyranosyl- II.A-5, VIII-3
246. 13752-83-5 0 1 0 Arabinonic acid HO-CH2-(CHOH)3-COOH II.A-5, IV.A-3
13
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
247. 13280-76-7 1 0 0 Arabinonic acid, γ-lactone HO OH
OO
HOCH2
II.A-5, VI-3
248. 147-81-9 1 1 1 Arabinose HO-CH2-(CHOH)3-CH=O II.A-5, III-12
249. 0 1 0 Arabitinol , 2,3-di-O-methyl- HO-CH2-CHOH-(CHOCH3)2-CH=O
II.A-5, III-12, X-2
250. 0 1 0 Arabitinol , 2,5-di-O-methyl- H3CO-CH2-(CHOH)2-(CHOCH3)-CH=O
II.A-5, III-12, X-2
251. 0 1 0 Arabitinol , 3,5-di-O-methyl- H3CO-CH2-CHOH-(CHOCH3)-CHOH-CH=O
II.A-5, III-12, X-2
252. 0 1 0 Arabitinol , 2,3,4-tri-O-methyl- HO-CH2-(CHOCH3)3-CH=O
II.A-5, III-12, X-2
253. 0 1 0 Arabitinol , 2,3,5-tri-O-methyl- H3CO-CH2-CHOH-(CHOCH3)2-CH=O
II.A-5, III-12, X-2
254. 9040-27-1 0 1 0 Arabinoxylan VIII-3
255. 7004-12-8 0 1 0 Arginine H2N-C(=NH)-NH-(CH2)3-CH(NH2)-COOH
IV.A-3, IV.B-7
256. 1069-09-6
34522-32-2
0 1 0 Arginine, N2-(1-carboxyethyl)- IV.A-3, IV.B-7
257. 74-79-3 0 1 0 L-Arginine H2N-C(=NH)-NH-(CH2)3-CH(NH2)-COOH
IV.A-3, IV.B-7
258. 7440-37-1 1 0 0 Argon A XX-5
259. 7440-38-2 1 1 1 Arsenic As XX-5, XXI-3
260. 15575-20-9 0 1 0 Arsenic, isotope of mass 76 76
As XX-5
261. 7778-44-1 0 1 0 Arsenic acid, calcium salt Ca3(AsO4)2 XX-6, XXI-3
262. 7645-25-2 0 1 0 Arsenic acid, lead salt Pb3(AsO4)2 XX-6, XXI-3
263. 7784-40-9 0 1 0 Arsenic acid, lead salt PbHAsO4 XX-6, XXI-3
264. 1327-53-3 0 1 0 Arsenic oxide {arsenious oxide} As2O3 XX-6
265. 7784-42-1 1 0 0 Arsine H3As XX-6
266. 603-32-7 1 0 0 Arsine, triphenyl- As(C6H5)3 XX-6
267. 50-81-7 1 1 1 L-Ascorbic acid {L-gulofuranolactone, 3-oxo-}
O O
OHHO
CH2OH
II.A-5, VI-3
268. 7006-34-0 1 1 1 Asparagine H2N-CO-CH2-CH(NH2)-COOH
IV.A-3, IV.B-7
269. 70-47-3 0 1 0 L-Asparagine IV.A-3, IV.B-7
270. 5794-13-8 0 1 0 L-Asparagine monohydrate IV.A-3, IV.B-7
271. 6899-03-2 1 1 1 Aspartic acid IV.A-3, IV.B-7
272. 56-84-8 1 1 1 L-Aspartic acid HOOC-CH2-CH(NH2)-COOH
IV.A-3, IV.B-7
273. 2456-73-7 0 1 0 L-Aspartic acid, N-(1H-indol-3-ylacetyl)- IV.A-3, IV.B-7
14
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
274. 1 0 0 Azaindene N
XVII.E-6
275. 271-63-6 1 0 0 7-Azaindole N NH
1
2
34
5
6 7
XVII.E-6
276. 1 0 0 7-Azaindole, N-methyl- XVII.E-6
277. 0 1 0 Azathymine
O O
NNH
NH
XIV-1, XVII.B-2
278. 503-29-7 1 1 1 Azetidine NH
XVII.A-1
279. 34441-14-0 0 1 0 1-Azetidinebutanoic acid, α-[(3-amino-3-carboxypropyl)amino]-2-carboxy-, [2S-
[1[αR*(R*)],2R*]]- {nicotianamine}
IV.A-3
280. 2517-04-6 0 1 0 2-Azetidinecarboxylic acid IV.A-3
281. 55556-98-4 0 1 0 2-Azetidinecarboxylic acid, 1-nitroso- COOH
N
ON
IV.A-3, XV-8
282. 275-51-4 1 0 0 Azulene {cyclopentacycloheptene}
I.E-6
283. 1 0 0 Azulene, 1,4-dimethyl-7-ethyl- I.E-6
284. 68038-71-1 0 1 0 Bacillus thuringiensis {Dipel®} XXI-3
285. 7440-39-3 1 1 1 Barium Ba XX-5
286. 203-33-8 1 0 0 Benz[a]aceanthrylene {benzo[a]fluoranthene}
I.E-6
287. 202-33-5 1 0 0 Benz[j]aceanthrylene {cholanthrylene}
12
ab
c
d
e f g h i j
I.E-6
288. 479-23-2 1 0 0 Benz[j]aceanthrylene, 1,2-dihydro- {cholanthrene}
12
ab
c
d
e f g h i j
I.E-6
289. 56-49-5 1 0 0 Benz[j]aceanthrylene, 1,2-dihydro-3-methyl- {3-methylcholanthrene}
12
ab
c
d
e f g h i j
H3C
I.E-6
15
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
290. 76774-50-0 1 0 0 Benz[fg]acenaphthylene
I.E-6
291. 205-99-2 1 1 1 Benz[e]acephenanthrylene {benzo[b]fluoranthene}
I.E-6
292. 41637-94-9 1 0 0 Benz[e]acephenanthrylene, methyl- I.E-6
293. 149021-93-2 1 0 0 Benz[e]acephenanthrylene, 10-methyl- I.E-6
294. 225-11-6 1 0 0 Benz[a]acridine
XVII.E-6
295. 1 0 0 Benz[a]acridine, 8,10-dimethyl- XVII.E-6
296. 225-51-4 1 0 0 Benz[c]acridine
N
1
2
3
4
5
678
9
10
11
XVII.E-6
297. 10567-95-0 1 0 0 Benz[c]acridine, 5,7-dimethyl- XVII.E-6
298. 71265-19-5 1 0 0 Benz[c]acridine, 6,9-dimethyl- XVII.E-6
299. 963-89-3 1 0 0 Benz[c]acridine, 7,9-dimethyl- XVII.E-6
300. 2381-40-0 1 0 0 Benz[c]acridine, 7,10-dimethyl- XVII.E-6
301. 32740-01-5 1 0 0 Benz[c]acridine, 7,11-dimethyl- XVII.E-6
302. 3340-94-1 1 0 0 Benz[c]acridine, 7-methyl- XVII.E-6
303. 14319-90-5 1 0 0 Benz[c]acridine, 8-methyl- XVII.E-6
304. 33942-93-7 1 0 0 Benz[c]acridine, 9-methyl- XVII.E-6
305. 7230-71-9 1 0 0 Benz[c]acridine, 10-methyl- XVII.E-6
306. 67028-20-0 1 0 0 Benz[c]acridine, 11-methyl- XVII.E-6
307. 58430-01-6 1 0 0 Benz[c]acridine, 7,9,10-trimethyl- XVII.E-6
308. 51787-42-9 1 0 0 Benz[c]acridine, 7,9,11-trimethyl- XVII.E-6
309. 100-52-7 1 1 1 Benzaldehyde CH=O
2
3
4
5
6
III-12
310. 1620-98-0 0 1 0 Benzaldehyde, 3,5-di(1,1-dimethylethyl)-4-hydroxy- III-12
311. 33774-71-9 1 1 1 Benzaldehyde, dihydroxy- III-12, IX-22
312. 24677-78-9 1 1 1 Benzaldehyde, 2,3-dihydroxy- III-12, IX-22
313. 95-01-2 1 0 0 Benzaldehyde, 2,4-dihydroxy- III-12, IX-22
314. 1194-98-5 1 0 0 Benzaldehyde, 2,5-dihydroxy- III-12, IX-22
315. 139-85-5 1 1 1 Benzaldehyde, 3,4-dihydroxy-
{protocatechualdehyde}
III-12, IX-22
316. 613-45-6 0 1 0 Benzaldehyde, 2,4-dimethoxy- III-12, X-2
317. 4925-88-6 1 0 0 Benzaldehyde, 2,5-dimethoxy-4-methyl- III-12, X-2
16
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
318. 3392-97-0 1 1 1 Benzaldehyde, 2,6-dimethoxy- III-12, X-2
319. 120-14-9 1 1 1 Benzaldehyde, 3,4-dimethoxy- {veratraldehyde} III-12, X-2
320. 134-96-3 1 1 1 Benzaldehyde, 3,5-dimethoxy-4-hydroxy- {syringaldehyde}
III-12, IX-22, X-2
321. 15764-16-6 1 0 0 Benzaldehyde, 2,4-dimethyl- III-12
322. 5779-94-2 1 0 0 Benzaldehyde, 2,5-dimethyl- III-12
323. 100-10-7 1 0 0 Benzaldehyde, 4-(dimethylamino)- III-12, XII-2
324. 121-32-4 1 1 1 Benzaldehyde, 3-ethoxy-4-hydroxy- {ethylvanillin} III-12, IX-22, X-2
325. 53951-50-1 0 1 0 Benzaldehyde, ethyl- III-12
326. 4748-78-1 0 1 0 Benzaldehyde, 4-ethyl- III-12
327. 90-02-8 1 1 1 Benzaldehyde, 2-hydroxy- {salicylaldehyde} III-12, IX-22
328. 148-53-8 0 1 0 Benzaldehyde, 2-hydroxy-3-methoxy- III-12, IX-22
329. 100-83-4 0 1 0 Benzaldehyde, 3-hydroxy- III-12, IX-22
330. 123-08-0 1 1 1 Benzaldehyde, 4-hydroxy- III-12, IX-22
331. 106799-60-4 0 1 0 Benzaldehyde, hydroxymethoxy- III-12, IX-22, X-2
332. 121-33-5 1 1 1 Benzaldehyde, 4-hydroxy-3-methoxy- {vanillin} III-12, IX-22, X-2
333. 1 1 1 Benzaldehyde, 4-hydroxy-3-methoxy-, labeled with 14
C {vanillin-14
C} III-12, IX-22, X-2, XXV-29
334. 1 0 0 Benzaldehyde, hydroxy-methyl- III-12, IX-22
335. 97122-27-5 1 0 0 Benzaldehyde, hydroxy-3-methyl- III-12, IX-22
336. 57295-30-4 1 0 0 Benzaldehyde, 3-hydroxy-4-methyl- III-12, IX-22
337. 15174-69-3 1 0 0 Benzaldehyde, 4-hydroxy-3-methyl- III-12, IX-22
338. 1 0 0 Benzaldehyde, methoxy- III-12
339. 123-11-5 1 1 1 Benzaldehyde, 4-methoxy- {p-anisaldehyde} III-12, X-2
340. 1334-78-7 1 0 0 Benzaldehyde, methyl- III-12
341. 529-20-4 1 1 1 Benzaldehyde, 2-methyl- {o-tolualdehyde} III-12
342. 620-23-5 1 1 1 Benzaldehyde, 3-methyl- {m-tolualdehyde} III-12
343. 104-87-0 1 1 1 Benzaldehyde, 4-methyl- {p-tolualdehyde} III-12
344. 122-03-2 1 1 1 Benzaldehyde, 4-(1-methylethyl)- {cuminaldehyde} III-12
345. 29344-95-4 0 1 0 Benzaldehyde, 2,3,4,5-tetramethyl- III-12
346. 55-21-0 1 1 1 Benzamide C6H5-CO-NH2 XIII-1
347. 15310-01-7 0 1 0 Benzamide, 2-iodo-N-phenyl- {Benodanil®}
CO-NH-C6H5
I
XIII-1, XXI-3
348. 1 0 0 Benzanthracene I.E-6
349. 63194-18-3 1 0 0 Benzanthracene, methyl- I.E-6
350. 56-55-3 1 1 1 Benz[a]anthracene {BaA or B[a]A} 1
2
3
4
5
678
9
10
11 12
I.E-6
351. 1 0 0 Benz[a]anthracene, alkyl- I.E-6
352. 43178-07-0 1 0 0 Benz[a]anthracene, dimethyl- I.E-6
17
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
353. 57-97-6 1 0 0 Benz[a]anthracene, 7,12-dimethyl- {DMBA} I.E-6
354. 0 0 0 Benz[a]anthracene, 9,10-dimethyl-
There can be no such compound as 7,12-dimethyl-1,2-benzanthracene because, according to the now obsolete nomenclature shown, there was never a 12 position in the 1,2-benzanthracene molecule. Also shown is 7,12-dimethylbenz[a]anthracene named according to the current nomenclature.
12
3
45
6
7
8
1'
2'
3'
4'9
10
CH3
CH3
1
2
3
4
5
68
9
10
11
12
7
CH3
CH3
a
b
c
I.E-6
355. 31632-62-9 1 0 0 Benz[a]anthracene, ethyl- I.E-6
356. 71265-32-2 1 0 0 Benz[a]anthracene, ethylmethyl- I.E-6
357. 43178-22-9 1 0 0 Benz[a]anthracene, methyl- I.E-6
358. 2498-77-3 1 0 0 Benz[a]anthracene, 1-methyl- I.E-6
359. 2498-76-2 1 0 0 Benz[a]anthracene, 2-methyl- I.E-6
360. 2498-75-1 1 0 0 Benz[a]anthracene, 3-methyl- I.E-6
361. 316-49-4 1 0 0 Benz[a]anthracene, 4-methyl- I.E-6
362. 2319-96-2 1 0 0 Benz[a]anthracene, 5-methyl- I.E-6
363. 316-14-3 1 0 0 Benz[a]anthracene, 6-methyl- I.E-6
364. 2381-31-9 1 0 0 Benz[a]anthracene, 8-methyl- I.E-6
365. 2381-16-0 1 0 0 Benz[a]anthracene, 9-methyl- I.E-6
366. 2381-15-9 1 0 0 Benz[a]anthracene, 10-methyl- I.E-6
367. 2422-79-9 1 0 0 Benz[a]anthracene, 12-methyl- I.E-6
368. 1 0 0 Benz[a]anthracene, methylene- I.E-6
369. 71265-33-3 1 0 0 Benz[a]anthracene, propyl- I.E-6
370. 1 0 0 Benz[a]anthracene, tetramethyl- I.E-6
371. 60826-78-0 1 0 0 Benz[a]anthracene, trimethyl- I.E-6
372. 199-94-0 1 0 0 7H-Benz[de]anthracene 1
2
3
4
5
67
a
b
cde
I.E-6
373. 1 0 0 Benz[a]anthrone O
III-13
374. 62-53-3 1 1 1 Benzenamine {aniline} NH2
2
3
4
5
6
XII-2
375. 106-40-1 1 0 0 Benzenamine, 4-bromo- XII-2, XVIII.B-3
376. 1861-40-1 0 1 0 Benzenamine, N-butyl-2,6-dinitro-N-ethyl-4-(trifluoromethyl)- {Benefin®; Benfluralin®}
NO2
F3C N
NO2
CH2-CH3
(CH2)3-CH3
XII-2, XXI-3
377. 95-51-2 1 0 0 Benzenamine, 2-chloro- {2-chloroaniline}
XII-2, XVIII.B-3,
XXI-3
18
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
378. 106-47-8 1 0 0 Benzenamine, 4-chloro- XII-2, XVIII.B-3
379. 46175-80-8 0 1 0 Benzenamine, 2-(cyclohexen-1-yl)- XII-2
380. 95-76-1 0 1 0 Benzenamine, 3,4-dichloro- XII-2, XVIII.B-3
381. 99-30-9 0 1 0 Benzenamine, 2,6-dichloro-4-nitro- {Dicloran®) XII-2, XVIII.B-3, XXI-3
382. 87-59-2 1 1 1 Benzenamine, 2,3-dimethyl- {2,3-xylidine} XII-2
383. 95-68-1 1 1 1 Benzenamine, 2,4-dimethyl- {2,4-xylidine} XII-2
384. 95-78-3 1 1 1 Benzenamine, 2,5-dimethyl- {2,5-xylidine} XII-2
385. 87-62-7 1 1 1 Benzenamine, 2,6-dimethyl- {2,6-xylidine} XII-2
386. 95-64-7 1 1 1 Benzenamine, 3,4-dimethyl- {3,4-xylidine} XII-2
387. 40487-42-1 0 1 0 Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)- {Pendimethalin®} O2N NO2
N-CH(C2H5)2H
XII-2, XXI-3
388. 108-69-0 1 1 1 Benzenamine, 3,5-dimethyl- {3,5-xylidine} XII-2
389. 611-21-2 1 0 0 Benzenamine, N,2-dimethyl- XII-2
390. 623-08-5 1 0 0 Benzenamine, N,4-dimethyl- XII-2
391. 121-69-7 1 0 0 Benzenamine, N,N-dimethyl- XII-2
392. 33629-47-9 0 1 0 Benzenamine, 4-(1,1-dimethylethyl)-2,6-dinitro-N-(1-methylpropyl)- {Butralin®}
NO2
NO2
NH-CH(CH3)-CH2CH3(H3C)3C
XII-2, XXI-3
393. 33820-53-0 0 1 0 Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(1-methylethyl)- {Isopropalin®}
NO2
NO2
(CH2)2CH3
(CH2)2CH3
N
H3C
H3C
XII-2, XXI-3
394. 1582-09-8 0 1 0 Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)- {Trifluralin®}
NO2
N
NO2
F3C
(CH2)2-CH3
(CH2)2-CH3
XII-2, XXI-3
395. 0 1 0 Benzenamine, 4-ethenyl- XII-2
396. 578-54-1 1 1 1 Benzenamine, 2-ethyl- XII-2
397. 587-02-0 1 0 0 Benzenamine, 3-ethyl- XII-2
398. 589-16-2 1 0 0 Benzenamine, 4-ethyl- XII-2
399. 103-69-5 1 0 0 Benzenamine, N-ethyl- {N-ethylaniline} C6H5-NH-CH2-CH3 XII-2
400. 1821-38-1 1 1 1 Benzenamine, 2-ethyl-N-methyl- XII-2
401. 71265-20-8 1 0 0 Benzenamine, 3-ethyl-N-methyl- XII-2
402. 37846-06-3 1 0 0 Benzenamine, 4-ethyl-N-methyl- XII-2
403. 94-68-8 1 0 0 Benzenamine, N-ethyl-2-methyl- XII-2
404. 102-27-2 0 1 0 Benzenamine, N-ethyl-3-methyl- XII-2
405. 71265-27-5 1 0 0 Benzenamine, ar-ethyl-ar-methyl- XII-2
406. 90-04-0 1 1 1 Benzenamine, 2-methoxy- {o-anisidine} X-2, XII-2
407. 536-90-3 1 1 1 Benzenamine, 3-methoxy- {m-anisidine} X-2, XII-2
408. 104-94-9 1 0 0 Benzenamine, 4-methoxy- {p-anisidine} X-2, XII-2
19
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
409. 26915-12-8 1 0 0 Benzenamine, ar-methyl- XII-2
410. 95-53-4 1 1 1 Benzenamine, 2-methyl- {o-toluidine; 2-toluidine} XII-2
411. 108-44-1 1 0 0 Benzenamine, 3-methyl- {m-toluidine 3-toluidine} XII-2
412. 106-49-0 1 0 0 Benzenamine, 4-methyl- {p-toluidine; 4-toluidine} XII-2
413. 100-61-8 1 0 0 Benzenamine, N-methyl- {N-methylaniline} C6H5-NH-CH3 XII-2
414. 5266-85-3 0 1 0 Benzenamine, 2-methyl-6-(1-methylethyl)- XII-2
415. 1 1 1 Benzenamine, N-methyl-N-nitroso- XII-2, XV-8
416. 1 0 0 Benzenamine, (1-methylethyl)-N-(1-methylethylphenyl)-
XII-2
417. 5650-10-2 1 0 0 Benzenamine, 4-(1-methylethyl)-N-phenyl- XII-2
418. 552-82-9 1 0 0 Benzenamine, N-methyl-N-phenyl- XII-2
419. 1 0 0 Benzenamine, N-nitroso-N-phenyl- XII-2, XV-8
420. 122-39-4 1 0 0 Benzenamine, N-phenyl- {diphenylamine} C6H5-NH-C6H5 XII-2
421. 13066-19-8 1 0 0 Benzenamine, 2-(2-phenylethenyl)-
{2-aminostilbene}
XII-2
422. 14064-37-0 1 0 0 Benzenamine, 3-(2-phenylethenyl)-, (Z)- XII-2
423. 834-24-2 1 0 0 Benzenamine, 4-(2-phenylethenyl)- XII-2
424. 71265-28-6 1 0 0 Benzenamine, ar,ar,ar,ar-tetramethyl- XII-2
425. 31093-11-5 1 0 0 Benzenamine, ar,ar,ar-trimethyl- XII-2
426. 88-05-1 1 0 0 Benzenamine, 2,4,6-trimethyl- {mesitylamine} XII-2
427. 71-43-2 1 1 1 Benzene 1
2
3
4
5
6
I.D-1
428. 1 0 0 Benzene, C3-alkyl- I.D-1
429. 1 0 0 Benzene, C4-alkyl- I.D-1
430. 1 0 0 Benzene, C5-alkyl- I.D-1
431. 103-33-3 0 1 0 Benzene, azobis- {azobenzene} C6H5-N=N-C6H5 XVI-1
432. 886-66-8 1 0 0 Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis- C6H5-C≡C-C≡C-C6H5 I.D-1
433. 824-90-8 1 0 0 Benzene, 1-butenyl- C6H5-CH=CH-(CH2)2-CH3 I.D-1
434. 104-51-8 1 0 0 Benzene, butyl- C6H5-(CH2)3-CH3 I.D-1
435. 108-90-7 1 0 0 Benzene, chloro- C6H5-Cl XVIII.B-3, XXI-3
436. 22349-74-2 1 0 0 Benzene, 1-chloro-4-(2-chloro-1-phenylethenyl)- XVIII.B-3
437. 103-17-3 0 1 0 Benzene, 1-chloro-4-((4-chlorophenyl)methyl)thio)- {Chlorobenside®} S Cl
Cl
XVIII.B-3
XXI-3
438. 3424-82-6 1 0 0 Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-
XVIII.B-3
439. 53-19-0 1 1 1 Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]- {o,p’-DDD; o.p’-TDE}
CHCl2
Cl
Cl
XVIII.B-3, XXI-3
20
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
440. 4329-12-8 1 1 1 Benzene, 1-chloro-3-[2,2-dichloro-1-(4-chlorophenyl)ethyl]- {m,p’-DDD}
XVIII.B-3, XXI-3
441. 789-02-6 1 1 1 Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]- {o,p’-DDT}
Cl
Cl
CCl3
XVIII.B-3, XXI-3
442. 4541-89-3 1 0 0 Benzene, 1,1'-(chloroethenylidene)bis- XVIII.B-3
443. 1022-22-6 1 1 1 Benzene, 1,1'-(chloroethenylidene)bis[4-chloro- {DDM}
ClCl
Cl
XVIII.B-3, XXI-3
444. 2642-80-0
1 1 1 Benzene, 1,1'-(2-chloroethylidene)bis[4-chloro- {DDMS}
ClCl
Cl
XVIII.B-3, XXI-3
445. 622-24-2 0 1 0 Benzene, 2-chloroethyl- C6H5-(CH2)2-Cl XVIII.B-3
446. 0 1 0 Benzene, chloromethoxy- {chloroanisole} X-2, XVIII.B-3
447. 25167-67-3 1 0 0 Benzene, chloromethyl- C6H5-CH2-Cl XVIII.B-3
448. 95-50-1 1 1 1 Benzene, 1,2-dichloro- XVIII.B-3
449. 541-73-1 1 0 0 Benzene, 1,3-dichloro- XVIII.B-3
450. 106-46-7 1 0 0 Benzene, 1,4-dichloro- XVIII.B-3
451. 72-55-9 1 1 1 Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro- {p,p’-DDE}
Cl
CCl2
Cl
XVIII.B-3, XXI-3
452. 27013-25-8 1 0 0 Benzene, 1,1'-(2,2-dichloroethylidene)bis[chloro- XVIII.B-3, XXI-3
453. 72-54-8 1 1 1 Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro- {p,p’-DDD, p,p’-TDE}
Cl
CHCl2
Cl
XVIII.B-3
454. 25340-17-4 1 1 1 Benzene, diethyl- I.D-1
455. 105-05-5 1 0 0 Benzene, 1,4-diethyl- I.D-1
456. 25550-13-4 1 0 0 Benzene, diethylmethyl- I.D-1
457. 27598-81-8 1 0 0 Benzene, dimethoxy- X-2
458. 91-16-7 1 1 1 Benzene, 1,2-dimethoxy- {veratrole} X-2
459. 1 0 0 Benzene, 1,2-dimethoxy-4-ethenyl- X-2
460. 494-99-5 1 0 0 Benzene, 1,2-dimethoxy-4-methyl- X-2
461. 151-10-0 0 1 0 Benzene, 1,3-dimethoxy- X-2
462. 150-78-7 1 1 1 Benzene, 1,4-dimethoxy- X-2
463. 14753-08-3 0 1 0 Benzene, 1,4-dimethoxy-2-methyl-5-(1-methylethyl)- X-2
464. 1330-20-7 1 1 1 Benzene, dimethyl- {xylene} I.D-1
465. 95-47-6 1 1 1 Benzene, 1,2-dimethyl- {o-xylene} I.D-1
466. 108-38-3 1 1 1 Benzene, 1,3-dimethyl- {m-xylene} I.D-1
21
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
467. 106-42-3 1 1 1 Benzene, 1,4-dimethyl- {p-xylene} I.D-1
468. 2039-89-6 1 0 0 Benzene, 1,4-dimethyl-2-ethenyl- I.D-1
469. 934-80-5 1 0 0 Benzene, 1,2-dimethyl-4-ethyl- I.D-1
470. 1 0 0 Benzene, 1,3-dimethyl-4-ethyl- I.D-1
471. 1758-88-9 1 0 0 Benzene, 1,4-dimethyl-2-ethyl- I.D-1
472. 3459-80-1 0 1 0 Benzene, [(1,1-dimethylethoxy)methyl]- X-2
473. 98-06-6 1 1 1 Benzene, (1,1-dimethylethyl)- C6H5-C(CH3)3 I.D-1
474. 1 0 0 Benzene, 3,5-bis(1,1-dimethylethyl)-1-methyl- I.D-1
475. 644-30-4 0 1 0 Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl- I.D-1
476. 4176-17-4 0 1 0 Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (R)- I.D-1
477. 99-51-4 1 0 0 Benzene, 1,2-dimethyl-4-nitro- XVI-1
478. 89-58-7 1 0 0 Benzene, 1,4-dimethyl-2-nitro- {2,5-dimethyl-1-nitrobenzene}
XVI-1
479. 89-87-2 1 0 0 Benzene, 2,4-dimethyl-1-nitro- XVI-1
480. 1007-26-7 0 1 0 Benzene, (2,2-dimethylpropyl)- C6H5-CH2-C(CH3)3 I.D-1
481. 103-29-7 1 0 0 Benzene, 1,1'-(1,2-ethanediyl)bis- {bibenzyl} C6H5-CH2-CH2-C6H5 I.D-1
482. 588-59-0 1 1 1 Benzene, 1,1'-(1,2-ethenediyl)bis- {stilbene} C6H5-CH=CH-C6H5 I.D-1
483. 645-49-8 1 0 0 Benzene, 1,1'-(1,2-ethenediyl)bis-, (Z)-
I.D-1
484. 103-30-0 1 0 0 Benzene, 1,1'-(1,2-ethenediyl)bis-, (E)-
I.D-1
485. 5121-74-4 1 1 1 Benzene, 1,1'-(1,2-ethenediyl)bis[4-chloro- {DCS = dichlorostilbene}
XVIII.B-3
486. 1657-56-3 1 1 1 Benzene, 1,1'-(1,2-ethenediyl)bis[4-chloro-, (E)- {trans-DCS}
Cl
Cl
XVIII.B-3
487. 2510-74-9 1 0 0 Benzene, 1,1'-(1,2-ethenediyl)bis[4-chloro-, (Z)- {cis-DCS}
Cl Cl
XVIII.B-3, XXI-3
488. 100-42-5 1 1 1 Benzene, ethenyl- {styrene} C6H5-CH=CH2 I.D-1
489. 6380-23-0 1 1 1 Benzene, 4-ethenyl-1,2-dimethoxy- X-2
490. 27576-03-0 1 0 0 Benzene, ethenyl-, dimethyl- I.D-1
491. 28106-30-1 1 0 0 Benzene, ethenylethyl- I.D-1
492. 71607-81-3 1 0 0 Benzene, ethenylethyldimethyl- I.D-1
493. 27138-10-9 1 0 0 Benzene, ethenylethylmethyl- I.D-1
494. 637-69-4 1 0 0 Benzene, 1-ethenyl-4-methoxy- X-2
495. 1 0 0 Benzene, ethenylmethyl- I.D-1
496. 611-15-4 1 0 0 Benzene, 1-ethenyl-2-methyl- I.D-1
497. 100-80-1 1 0 0 Benzene, 1-ethenyl-3-methyl- I.D-1
22
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
498. 622-97-9 1 0 0 Benzene, 1-ethenyl-4-methyl- I.D-1
499. 71607-82-4 1 0 0 Benzene, ethenyltetramethyl- I.D-1
500. 50976-21-1 1 0 0 Benzene, ethenyltrimethyl- I.D-1
501. 103-73-1 1 0 0 Benzene, ethoxy- C6H5-O-CH2-CH3 X-2
502. 5076-72-2 1 0 0 Benzene, 1-ethoxy-4-methoxy X-2
503. 100-41-4 1 1 1 Benzene, ethyl- C6H5-CH2-CH3 I.D-1
504. 874-41-9 1 0 0 Benzene, 1-ethyl-2,4-dimethyl- I.D-1
505. 25550-14-5 1 0 0 Benzene, ethylmethyl- I.D-1
506. 611-14-3 1 1 1 Benzene, 1-ethyl-2-methyl- I.D-1
507. 620-14-4 1 1 1 Benzene, 1-ethyl-3-methyl- I.D-1
508. 622-96-8 1 1 1 Benzene, 1-ethyl-4-methyl- I.D-1
509. 18908-70-8 0 1 0 Benzene, 1-ethyl-2-(1-phenylethyl)- I.D-1
510. 18640-62-5 1 0 0 Benzene, 1-ethyl-4-(2-propenyl)- I.D-1
511. 536-74-3 1 0 0 Benzene, ethynyl- {phenylacetylene} I.D-1
512. 1 0 0 Benzene, 1-(2-hepten-6-yl)-4-methyl- I.D-1
513. 118-74-1 0 1 0 Benzene, hexachloro- XVIII.B-3, XXI-3
514. 1077-16-3 1 0 0 Benzene, hexyl- C6H5-(CH2)5-CH3 I.D-1
515. 622-78-6 0 1 0 Benzene, (isothiocyanatomethyl)- XVIII.A-1
516. 2257-09-2 0 1 0 Benzene, (2-isothiocyanatoethyl)- XVIII.A-1
517. 100-66-3 1 1 1 Benzene, methoxy- {anisole} C6H5-O-CH3 X-2
518. 21730-66-5 1 1 1 Benzene, methoxy-, 1-14
C, labeled with 14
C {anisole-1-
14C}
X-2
519. 26897-24-5 0 1 0 Benzene, methoxy-methyl- {2 isomers detected} X-2
520. 538-86-3 0 1 0 Benzene, (methoxymethyl)- {benzyl methyl ether} X-2
521. 578-58-5 1 0 0 Benzene, 1-methoxy-2-methyl- {o-methylanisole} X-2
522. 100-84-5 1 0 0 Benzene, 1-methoxy-3-methyl- {m-methylanisole} X-2
523. 104-93-8 1 1 1 Benzene, 1-methoxy-4-methyl- {p-methylanisole} X-2
524. 3794-96-5 0 1 0 Benzene, 2-methoxy-1-methyl-4-(1-methylethenyl)- X-2
525. 6379-73-3 0 1 0 Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)- X-2
526. 1076-56-8 0 1 0 Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)- X-2
527. 104-46-1 1 1 1 Benzene, 1-methoxy-4-(1-propenyl)- {anethole} X-2
528. 140-67-0 1 0 0 Benzene, 1-methoxy-4-(2-propenyl)- {estragole} X-2
529. 104-45-0 0 1 0 Benzene, 1-methoxy-4-propyl- {dihydroanethole} X-2
530. 16277-67-1 0 1 0 Benzene, (3-methoxy-1-propenyl)- X-2
531. 108-88-3 1 1 1 Benzene, methyl- {toluene} C6H5-CH3 I.D-1
532. 101-81-5 1 0 0 Benzene, 1,1'-methylenebis- {diphenylmethane}
C6H5-CH2-C6H5 I.D-1
533. 101-76-8 1 0 0 Benzene, 1,1'-methylenebis[4-chloro-
Cl Cl
XVIII.B-3
534. 98-83-9 1 0 0 Benzene, (1-methylethenyl)- {α-methylstyrene} C6H5-C(CH3)=CH2 I.D-1
535. 98-82-8 1 1 1 Benzene, (1-methylethyl)- {cumene} C6H5-CH=(CH3)2 I.D-1
23
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
536. 1817-47-6 1 0 0 Benzene, 1-(1-methylethyl)-4-nitro- {4-nitrocumen} XVI-1
537. 1124-20-5 1 0 0 Benzene, 1-methyl-3-(1-methylethenyl)- I.D-1
538. 1195-32-0 1 0 0 Benzene, 1-methyl-4-(1-methylethenyl)-
{p,α-dimethylstyrene}
I.D-1
539. 535-77-3 1 1 1 Benzene, 1-methyl-3-(1-methylethyl)- {m-cymene} I.D-1
540. 99-87-6 1 1 1 Benzene, 1-methyl-4-(1-methylethyl)- {p-cymene} I.D-1
541. 88-72-2 1 0 0 Benzene, 1-methyl-2-nitro- XVI-1
542. 99-08-1 1 0 0 Benzene, 1-methyl-3-nitro- XVI-1
543. 99-99-0 1 0 0 Benzene, 1-methyl-4-nitro- XVI-1
544. 17271-70-4 1 0 0 Benzene, 1-methyl-3-(1-propenyl)- I.D-1
545. 1074-43-7 1 0 0 Benzene, 1-methyl-3-propyl- I.D-1
546. 1074-55-1 1 0 0 Benzene, 1-methyl-4-propyl- I.D-1
547. 538-93-2 1 0 0 Benzene, (2-methylpropyl)- C6H5-CH2-CH(CH3)2 I.D-1
548. 1139-49-7 1 0 0 Benzene, 1-methyl-3-(2,2,6-trimethylcyclohexyl)- {toluene, m-(2,2,6-trimethylcyclohexyl}
CH3 CH3
CH3
H3C
I.D-1
549. 16982-00-6 0 1 0 Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-
CH3 CH3
CH3H3C
I.D-1
550. 98-95-3 1 0 0 Benzene, nitro- C6H5-NO2 XVI-1
551. 15457-05-3 0 1 0 Benzene, 2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)- {Fluorodifen®}
XVI-1, XXI-3
552. 82-68-8 0 1 0 Benzene, nitropentachloro- {Quintocen®} XVI-1
553. 1 0 0 Benzene, octyl- C6H5-(CH2)7-CH3 I.D-1
554. 101-84-8 0 1 0 Benzene, 1,1'-oxybis- {diphenyl ether} C6H5-O-C6H5 X-2
555. 103-50-4 1 0 0 Benzene, 1,1'-[oxybis(methylene)]bis- {dibenzyl ether}
C6H5-CH2-O-CH2-C6H5 X-2
556. 55044-97-8 1 0 0 Benzene, 1,1'-[oxybis(methylene)]bis[4-ethyl- X-2
557. 538-68-1 1 1 1 Benzene, pentyl- C6H5-(CH2)4-CH3 I.D-1
558. 637-50-3 1 0 0 Benzene, 1-propenyl- C6H5-CH=CH-CH3 I.D-1
559. 300-57-2 1 0 0 Benzene, 2-propenyl- {allyl benzene} C6H5-CH2-CH=CH2 I.D-1
560. 103-65-1 1 1 1 Benzene, propyl- C6H5-(CH2)2-CH3 I.D-1
561. 673-32-5 1 0 0 Benzene, 1-propynyl- C6H5-C≡C-CH3 I.D-1
562. 938-22-7 0 1 0 Benzene, 1,2,3,5-tetrachloro-4-methoxy- X-2, XVIII.B-3
563. 25619-60-7 1 1 1 Benzene, tetramethyl- I.D-1
564. 488-23-3 1 0 0 Benzene, 1,2,3,4-tetramethyl- I.D-1
565. 527-53-7 1 0 0 Benzene, 1,2,3,5-tetramethyl- I.D-1
566. 95-93-2 1 0 0 Benzene, 1,2,4,5-tetramethyl- I.D-1
567. 116-29-0 0 1 0 Benzene, 1,2,4-trichloro-5-((4-chlorophenyl)sulfonyl)- {Tetradifon®}
XVIII.B-3, XXI-3
24
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
568. 50-29-3 1 1 1 Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-chloro- {p,p’-DDT}
CCl3
Cl Cl
XVIII.B-3, XXI-3
569. 87-40-1 0 1 0 Benzene, 1,3,5-trichloro-2-methoxy- X-2, XVIII.B-3
570. 634-36-6 1 1 1 Benzene, 1,2,3-trimethoxy- X-2
571. 1 0 0 Benzene, 1,2,4-trimethoxy- X-2
572. 1 0 0 Benzene, 1,3,5-trimethoxy- X-2
573. 487-11-6 0 1 0 Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- X-2
574. 2883-98-9 0 1 0 Benzene, 1,2,4-trimethoxy-5-(2-propenyl)-, (Z)- X-2
575. 5273-86-9 0 1 0 Benzene, 1,2,4-trimethoxy-5-(2-propenyl)-, (E)- X-2
576. 25551-13-7 1 1 1 Benzene, trimethyl- I.D-1
577. 526-73-8 1 1 1 Benzene, 1,2,3-trimethyl- I.D-1
578. 95-63-6 1 1 1 Benzene, 1,2,4-trimethyl- {pseudocumene} I.D-1
579. 108-67-8 1 1 1 Benzene, 1,3,5-trimethyl- {mesitylene} I.D-1
580. 122-78-1 1 1 1 Benzeneacetaldehyde {phenylacetaldehyde} CH2-CH=O
III-12
581. 4411-89-6 1 1 1 Benzeneacetaldehyde, α-ethylidene-
{2-phenyl-2-butenal}
III-12
582. 57568-60-2 0 1 0 Benzeneacetaldehyde, α-(2-furanylmethylene)- III-12, X-2
583. 5031-83-4 0 1 0 Benzeneacetaldehyde, α-(2-phenylethylidene)- III-12
584. 0 1 0 Benzeneacetaldehyde, 4-methyl- III-12
585. 103-81-1 1 1 1 Benzeneacetamide {phenylacetamide} C6H5-CH2-CO-NH2 XIII-1
586. 4695-13-0 0 1 0 Benzeneacetamide, α-phenyl- (C6H5)2=CH-CO-NH2 XIII-1
587. 957-51-7 1 1 1 Benzeneacetamide, N,N-dimethyl-α-phenyl- {diphenamid; Enide®}
O
CH3
CH3
N
XIII-1, XXI-3
588. 954-21-2 1 1 1 Benzeneacetamide, N-methyl-α-phenyl-
{desmethyl diphenamid}
O
CH3
N-H
XIII-1, XXI-3
589. 103-82-2 1 1 1 Benzeneacetic acid {phenylacetic acid} CH2-COOH
IV.A-3, XXI-3
590. 1 1 1 Benzeneacetic acid, labeled with 14
C {phenylacetic acid-
14C}
IV.A-3, XXV-29
591. 122-43-0 0 1 0 Benzeneacetic acid, butyl ester C6H5-CH2-COO-(CH2)3-CH3 V-3
592. 17119-15-2 1 0 0 Benzeneacetic acid, α,3-dihydroxy- HO CH2OH-COOH
II.A-5, IV.A-3,
IX.A-22
593. 1198-84-1 1 0 0 Benzeneacetic acid, α,4-dihydroxy- II.A-5, IV.A-3, IX.A-22
25
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
594. 1 0 0 Benzeneacetic acid, α,?-dihydroxy-ethyl- II.A-5, IV.A-3, IX.A-22
595. 20432-26-2 0 1 0 Benzeneacetic acid, α-ethylidene-, (E)- IV.A-3
596. 90-64-2 0 1 0 Benzeneacetic acid, α-hydroxy- {mandelic acid} II.A-5, IV.A-3
597. 492-37-5 1 0 0 Benzeneacetic acid, α-methyl- {hydratropic acid} IV.A-3
598. 19988-45-5 1 0 0 Benzeneacetic acid, 2,3-dihydroxy- IV.A-3, IX.A-22
599. 451-13-8 1 0 0 Benzeneacetic acid, 2,5-dihydroxy- IV.A-3, IX.A-22
600. 102-32-9 1 1 1 Benzeneacetic acid, 3,4-dihydroxy- IV.A-3, IX.A-22
601. 4670-09-1 1 0 0 Benzeneacetic acid, 3,5-dihydroxy- IV.A-3, IX.A-22
602. 96937-42-7 1 0 0 Benzeneacetic acid, ar,ar-dihydroxy-ar,ar-dimethyl- IV.A-3, IX.A-22
603. 96937-37-0 1 0 0 Benzeneacetic acid, ar,α-dihydroxy-ar-ethyl- IV.A-3, IX.A-22
604. 96937-48-3 1 0 0 Benzeneacetic acid, ar,ar-dihydroxy-ar-methyl- IV.A-3, IX.A-22
605. 96937-41-6 1 0 0 Benzeneacetic acid, 3,4-dihydroxy-ar-methyl- IV.A-3, IX.A-22
606. 614-75-5 1 1 1 Benzeneacetic acid, 2-hydroxy- IV.A-3, IX.A-22
607. 621-37-4 1 1 1 Benzeneacetic acid, 3-hydroxy- IV.A-3, IX.A-22
608. 51630-58-1 0 1 0 Benzeneacetic acid, 4-chloro- α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester {Fenvalerate®}
COO-CH(CN)-
Cl
O
V-3, X-2, XI-2, XVIII.B-3, XXI-3
609. 70124-77-5 0 1 0 Benzeneacetic acid, 4-(difluoromethoxy)-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
{Flucythrinate®}
O
O
OO
CN
CH3
CH3
F
F
V-3, X-2, XI-2, XVIII.B-3, XXI-3
610. 156-38-7 1 1 1 Benzeneacetic acid, 4-hydroxy- IV.A-3, IX.A-22
611. 306-08-1 1 0 0 Benzeneacetic acid, 4-hydroxy-3-methoxy- {homovanillic acid}
IV.A-3, IX.A-22, X-2
612. 102-22-7 0 1 0 Benzeneacetic acid, 3,7-dimethyl-2,6-octadien-1-yl ester {geranyl phenylacetate}
V-3
613. 101-97-3 1 1 1 Benzeneacetic acid, ethyl ester
{ethyl phenylacetate}
C6H5-CH2-COO-CH2-CH3 V-3
614. 5421-17-0 0 1 0 Benzeneacetic acid, hexyl ester C6H5-CH2-COO-(CH2)5-CH3 V-3
615. 101-41-7 1 1 1 Benzeneacetic acid, methyl ester
{methyl phenylacetate}
C6H5-CH2-COO-CH3 V-3
616. 102-19-2 1 1 1 Benzeneacetic acid, 3-methylbutyl ester V-3
617. 101-94-0 0 1 0 Benzeneacetic acid, 4-methylphenyl ester
{p-tolyl phenylacetate}
V-3
618. 102-13-6 0 1 0 Benzeneacetic acid, 2-methylpropyl ester V-3
619. 1 102-20-5 0 1 0 Benzeneacetic acid, 2-phenylethyl ester C6H5-CH2-COO-(CH2)2-C6H5 V-3
620. 102-16-9 0 1 0 Benzeneacetic acid, phenylmethyl ester
{benzyl phenylacetate}
C6H5-CH2-COO-CH2-C6H5 V-3
26
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
621. 140-29-4 1 1 1 Benzeneacetonitrile {benzyl cyanide} CH2-CN
XI-2
622. 14191-95-8 1 0 0 Benzeneacetonitrile, 4-hydroxy- IX.A-22, XI-2
623. 21850-61-3 1 0 0 Benzeneacetonitrile, 4-hydroxy-α-methyl- IX.A-22, XI-2
624. 1 0 0 Benzeneacetonitrile, methyl- XI-2
625. 22364-68-7 1 0 0 Benzeneacetonitrile, 2-methyl- XI-2
626. 1 0 0 Benzeneacetonitrile, 4-methyl- XI-2
627. 343-65-7 0 1 0 Benzenebutanoic acid, α,2-diamino-γ-oxo-
{kynurenine}
NH2
O NH2
COOH
III-13, IV.A-3, XII-2
628. 53392-07-7 1 0 0 Benzenebutanol, 4-methyl- II.A-5
629. 71607-71-1 1 0 0 Benzenediamine, N-methyl- XII-2
630. 95-54-5 1 0 0 1,2-Benzenediamine {o-phenylenediamine} XII-2
631. 3171-45-7 1 0 0 1,2-Benzenediamine, 4,5-dimethyl- XII-2
632. 25376-45-8 1 0 0 1,3-Benzenediamine, ar-methyl- XII-2
633. 1 0 0 1,4-Benzenediamine, N-methyl- XII-2
634. 101-54-2 1 0 0 1,4-Benzenediamine, N-phenyl- XII-2
635. 140-56-7 0 1 0 Benzenediazosulfonate, dimethylamino-, sodium salt {Fenaminosulf®}
XX-6, XXI-3
636. 91-15-6 1 0 0 1,2-Benzenedicarbonitrile XI-2
637. 626-17-5 1 0 0 1,3-Benzenedicarbonitrile XI-2
638. 1897-45-6 0 1 0 1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro {Chlorothalonil®}
CN
Cl
CN
Cl
Cl
Cl
XI-2, XVIII.B-3,
XXI-3
639. 623-26-7 1 0 0 1,4-Benzenedicarbonitrile XI-2
640. 88-99-3 1 1 0 1,2-Benzenedicarboxylic acid {phthalic acid} IV.A-3
641. 121-91-5 1 0 0 1,3-Benzenedicarboxylic acid {isophthalic acid} IV.A-3
642. 100-21-0 1 1 1 1,4-Benzenedicarboxylic acid {terephthalic acid} IV.A-3
643. 7299-89-0 1 0 0 1,2-Benzenedicarboxylic acid, bis(2-ethylbutyl) ester V-3
644. 117-81-7 1 1 1 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
V-3
645. 131-20-4
27554-26-3
1 1 1 1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester {diisooctyl phthalate}
V-3
646. 84-69-5 0 1 0 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
V-3
647. 85-69-8 1 1 1 1,2-Benzenedicarboxylic acid, butyl, 2-ethylhexyl ester
V-3
648. 0 1 0 1,2-Benzenedicarboxylic acid, butyl, 2-methylbutyl ester
V-3
649. 0 1 0 1,2-Benzenedicarboxylic acid, butyl, 3-methylbutyl ester
V-3
27
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
650. 0 1 0 1,2-Benzenedicarboxylic acid, butyl, phenylmethyl ester
V-3
651. 1 0 0 1,2-Benzenedicarboxylic acid, dialkyl ester {four isomers detected}
V-3
652. 84-74-2 1 1 1 1,2-Benzenedicarboxylic acid, dibutyl ester {dibutyl phthalate}
V-3
653. 84-66-2 1 1 1 1,2-Benzenedicarboxylic acid, diethyl ester {diethyl phthalate}
V-3
654. 84-75-3 0 1 0 1,2-Benzenedicarboxylic acid, dihexyl ester V-3
655. 131-11-3 1 1 1 1,2-Benzenedicarboxylic acid, dimethyl ester {dimethyl phthalate}
V-3
656. 117-84-0 1 1 1 1,2-Benzenedicarboxylic acid, dioctyl ester V-3
657. 131-16-8 1 1 1 1,2-Benzenedicarboxylic acid, dipropyl ester V-3
658. 1861-32-1 0 1 0 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester {DCPA®}
V-3, XXI-3
659. 1 0 0 Benzenediol, C2-alkyl- IX.A-22
660. 1 0 0 Benzenediol, C3-alkyl- IX.A-22
661. 71630-70-1 1 0 0 Benzenediol, ethyl-nitro- IX.A-22, XVI-1
662. 80934-44-7 1 0 0 Benzenediol, methyl- IX.A-22
663. 1 0 0 Benzenediol, methyl-nitro- IX.A-22, XVI-1
664. 62726-14-1 1 0 0 Benzenediol, nitro-
{at least 4 isomers were detected}
IX.A-22, XVI-1
665. 120-80-9 1 1 1 1,2-Benzenediol {catechol; pyrocatechol} OH
OH
3
4
5
6
IX.A-22
666. 69845-49-4 1 0 0 1,2-Benzenediol, dimethyl- IX.A-22
667. 2785-75-3 1 0 0 1,2-Benzenediol, 3,5-dimethyl- IX.A-22
668. 2785-78-6 1 0 0 1,2-Benzenediol, 3,6-dimethyl- IX.A-22
669. 98-29-3 1 0 0 1,2-Benzenediol, 4-(1,1-dimethylethyl)- IX.A-22
670. 1 0 0 1,2-Benzenediol, 3-ethenyl- IX.A-22
671. 6053-02-7 1 0 0 1,2-Benzenediol, 4-ethenyl- IX.A-22
672. 28930-20-3 1 0 0 1,2-Benzenediol, ethyl- IX.A-22
673. 933-99-3 1 0 0 1,2-Benzenediol, 3-ethyl- IX.A-22
674. 1124-39-6 1 0 0 1,2-Benzenediol, 4-ethyl- IX.A-22
675. 71608-02-1 1 0 0 1,2-Benzenediol, 5-ethyl-3-nitro- IX.A-22, XVI-1
676. 934-00-9 1 0 0 1,2-Benzenediol, 3-methoxy- IX-22, X-2
677. 28930-19-0 1 0 0 1,2-Benzenediol, methyl- IX.A-22
678. 488-17-5 1 0 0 1,2-Benzenediol, 3-methyl- IX.A-22
679. 452-86-8 1 0 0 1,2-Benzenediol, 4-methyl- IX.A-22
680. 2138-48-9 1 0 0 1,2-Benzenediol, 3-(1-methylethyl)- IX.A-22
681. 2138-43-4 1 0 0 1,2-Benzenediol, 4-(1-methylethyl)- IX.A-22
682. 102-29-4 1 0 0 1,2-Benzenediol, monoacetate V-3, IX.A-22
683. 6665-98-1 1 0 0 1,2-Benzenediol, 3-nitro- IX.A-22, XVI-1
28
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
684. 3316-09-4 1 0 0 1,2-Benzenediol, 4-nitro- IX.A-22, XVI-1
685. 1126-61-0 1 1 1 1,2-Benzenediol, 4-(2-propenyl)- IX.A-22
686. 29031-84-3 1 0 0 1,2-Benzenediol, propyl- IX.A-22
687. 2896-63-1 1 0 0 1,2-Benzenediol, 3-propyl- IX.A-22
688. 2525-02-2 1 0 0 1,2-Benzenediol, 4-propyl- IX.A-22
689. 108-46-3 1 1 1 1,3-Benzenediol {resorcinol} OH
4
5
6 2
OH
IX.A-22
690. 25377-27-9 1 0 0 1,3-Benzenediol, dimethyl- IX.A-22
691. 1 0 0 1,3-Benzenediol, 2,5-dimethyl- IX.A-22
692. 67965-47-3 1 0 0 1,3-Benzenediol, ethenyl- IX.A-22
693. 1 0 0 1,3-Benzenediol, ethyl- IX.A-22
694. 2896-60-8 1 0 0 1,3-Benzenediol, 4-ethyl- IX.A-22
695. 1 0 0 1,3-Benzenediol, methyl- IX.A-22
696. 608-25-3 1 0 0 1,3-Benzenediol, 2-methyl- IX.A-22
697. 504-15-4 1 0 0 1,3-Benzenediol, 5-methyl- {orcinol} IX.A-22
698. 1 0 0 1,3-Benzenediol, (1-methylethyl)- IX.A-22
699. 71608-03-2 1 0 0 1,3-Benzenediol, 4-methyl-6-nitro- IX.A-22, XVI-1
700. 1 0 0 1,3-Benzenediol, monoacetate V-3, IX.A-22
701. 3163-07-3 1 0 0 1,3-Benzenediol, 4-nitro- IX.A-22, XVI-1
702. 68146-94-1 1 0 0 1,3-Benzenediol, propyl- IX.A-22
703. 123-31-9 1 1 1 1,4-Benzenediol {hydroquinone} OH
5
6 2
OH
3
IX.A-22
704. 1 0 0 1,4-Benzenediol, dimethyl- IX.A-22
705. 3233-32-7 1 0 0 1,4-Benzenediol, monoacetate V-3, IX-22
706. 1 0 0 1,4-Benzenediol, monopropanoate V-3, IX-22
707. 608-43-5 1 0 0 1,4-Benzenediol, 2,3-dimethyl- IX.A-22
708. 615-90-7 1 0 0 1,4-Benzenediol, 2,5-dimethyl- IX.A-22
709. 2349-70-4 1 0 0 1,4-Benzenediol, 2-ethyl- = 1,4-Benzenediol,
ethyl-
IX.A-22
710. 72693-14-2 1 0 0 1,4-Benzenediol, 2-ethyl-6-methyl- IX.A-22
711. 3233-32-7 1 0 0 1,4-Benzenediol, monoacetate V-3, IX-22
712. 824-46-4 1 1 1 1,4-Benzenediol, 2-methoxy- IX-22, X-2
713. 95-71-6 1 1 1 1,4-Benzenediol, 2-methyl- = 1,4-Benzenediol, methyl-
IX.A-22
714. 2349-71-5 0 1 0 1,4-Benzenediol, 2-(1-methylethyl)- IX.A-22
715. 4693-31-6 1 0 0 1,4-Benzenediol, 2-propyl- IX.A-22
716. 700-13-0 1 0 0 1,4-Benzenediol, 2,3,5-trimethyl- IX.A-22
29
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
717. 64-04-0 1 1 1 Benzeneethanamine C6H5-CH2-CH2-NH2 XII-2
718. 582-22-9 1 0 0 Benzeneethanamine, β-methyl- C6H5-CH(CH3)-CH2-NH2 XII-2
719. 589-08-2 1 1 1 Benzeneethanamine, N-methyl- C6H5-CH2-CH2-NH-CH3 XII-2
720. 60-12-8 1 1 1 Benzeneethanol {phenethyl alcohol}
Occasionally listed as 1321-27-3 Ethanol, phenyl-
C6H5-CH2CH2-OH II.A-5
721. 5040-23-3 1 0 0 Benzeneethanol, α,4-dimethyl- II.A-5
722. 7779-78-4 0 1 0 Benzeneethanol, α-(2-methylpropyl)- II.A-5
723. 13398-94-2 1 1 1 Benzeneethanol, 3-hydroxy- II.A-5, IX.A-22
724. 501-94-0 1 1 1 Benzeneethanol, 4-hydroxy- II.A-5, IX.A-22
725. 2380-78-1 1 0 0 Benzeneethanol, 4-hydroxy-3-methoxy- II.A-5, IX.A-22, X-2
726. 699-02-5 0 1 0 Benzeneethanol, 4-methyl- II.A-5
727. 100-46-9 1 1 1 Benzenemethanamine {benzylamine} C6H5-CH2-NH2 XII-2
728. 62924-70-3 0 1 0 Benzenemethanamine, 2-chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluoro- {Flumetralin®}
XII-2, XVI-1, XVIII.B-3, XXI-3
729. 100-51-6 1 1 1 Benzenemethanol {benzyl alcohol} C6H5-CH2OH II.A-5
730. 1197-01-9 1 1 1 Benzenemethanol, α,α,4-trimethyl-
{p,α,α-trimethylbenzyl alcohol}
II.A-5
731. 617-94-7 1 1 1 Benzenemethanol, α,α-dimethyl- C6H5-C(CH3)2OH II.A-5
732. 536-50-5 0 1 0 Benzenemethanol, α,4-dimethyl- II.A-5
733. 4393-06-0 0 1 0 Benzenemethanol, α-ethenyl- C6H5-CH(CH=CH2)OH II.A-5
734. 93-54-9 0 1 0 Benzenemethanol, α-ethyl- {1-phenyl-1-propanol} C6H5-CH(C2H5)OH II.A-5
735. 98-85-1 1 1 1 Benzenemethanol, α-methyl- C6H5-CH(CH3)OH II.A-5
736. 93-92-5 0 1 0 Benzenemethanol, α-methyl-, acetate V-3
737. 13651-14-4 1 0 0 Benzenemethanol, 2,3-dimethyl- II.A-5
738. 89-95-2 1 1 1 Benzenemethanol, 2-methyl- II.A-5
739. 620-24-6 1 1 1 Benzenemethanol, 3-hydroxy- II.A-5, IX.A-22
740. 105-13-5 0 1 0 Benzenemethanol, 4-methoxy- {anisyl alcohol} II.A-5, X-2
741. 104-21-2 1 1 1 Benzenemethanol, 4-methoxy-, acetate
{anisyl acetate}
V-3, X-2
742. 122-91-8 0 1 0 Benzenemethanol, 4-methoxy-, formate V-3, X-2
743. 102-17-0 0 1 0 Benzenemethanol, 4-methoxy-, phenylacetate V-3, X-2
744. 7549-33-9 0 1 0 Benzenemethanol, 4-methoxy-, propanoate V-3, X-2
745. 589-18-4 0 1 0 Benzenemethanol, 4-methyl- II.A-5
746. 6282-37-7 1 0 0 Benzenemethanol, 4-methyl-α-propyl- II.A-5
747. 1331-81-3 0 1 0 Benzenemethanol, ar-methoxy- II.A-5, X-2
748. 27043-34-1 1 0 0 Benzenemethanol, methyl- II.A-5
749. 104-53-0 0 1 0 Benzenepropanal C6H5-CH2CH2-CH=O III-12
750. 80638-48-8 1 0 0 Benzenepropanal, 4-hydroxy-3-methoxy- III-12, IX.A-22, X-2
751. 103-95-3 0 1 0 Benzenepropanal, α-methyl-4-(1-methylethyl)-
{cyclamen aldehyde}
III-12
752. 102-93-2 1 1 1 Benzenepropanamide C6H5-CH2CH2-CONH2 XIII-1
30
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
753. 121850-61-1 0 1 0 Benzenepropanamide, N-[3-[[4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]amino]butyl]amino ]propyl]-3,4-dihydroxy-
IX.A-22, XIII-1
754. 645-59-0 1 0 0 Benzenepropanenitrile C6H5-CH2CH2-CN XI-2
755. 501-52-0 1 1 1 Benzenepropanoic acid
{3-phenylpropionic acid or hydrocinnamic acid}
C6H5-CH2CH2-COOH IV.A-3
756. 156-06-8 0 1 0 Benzenepropanoic acid, α-hydroxy-
{phenyllactic acid}
C6H5-CH2-CH2OH-COOH II.A-5, IV.A-3
757. 7326-19-4 0 1 0 Benzenepropanoic acid, α-hydroxy-, (R)- II.A-5, IV.A-3
758. 4593-90-2 1 0 0 Benzenepropanoic acid, β-methyl- IV.A-3
759. 156-06-9 0 1 0 Benzenepropanoic acid, α-oxo-
{phenylpyruvic acid}
C6H5-CH2-CO-COOH IV.A-3
760. 24696-05-7 0 1 0 Benzenepropanoic acid, 2-(β-D-glucopyranosyloxy)- II.A-5, IV.A-3, X-2
761. 1 0 0 Benzenepropanoic acid, dihydroxy-methoxy- IV.A-3, X-2, IX.A-22
762. 1 1 1 Benzenepropanoic acid, 2-(methylnitrosamino)-
IV.A-3, XV-8
763. 3714-73-6 1 0 0 Benzenepropanoic acid, 2,3-dihydroxy- IV.A-3, IX.A-22
764. 96937-38-1 1 0 0 Benzenepropanoic acid, 2,3-dihydroxy-ar-methyl- IV.A-3, IX.A-22
765. 10538-47-3 1 0 0 Benzenepropanoic acid, 2,5-dihydroxy- IV.A-3, IX.A-22
766. 96937-34-7 1 0 0 Benzenepropanoic acid, 2,5-dihydroxy-ar-methyl- IV.A-3, IX.A-22
767. 495-78-3 1 1 1 Benzenepropanoic acid, 2-hydroxy- IV.A-3, IX.A-22
768. 1078-61-1 1 1 1 Benzenepropanoic acid, 3,4-dihydroxy-
{dihydrocaffeic acid}
IV.A-3, IX.A-22
769. 96961-47-6 1 0 0 Benzenepropanoic acid, 3,4-dihydroxy-2,5,6-trimethyl-
IV.A-3, IX.A-22
770. 96937-33-6 1 0 0 Benzenepropanoic acid, 3,4-dihydroxy-ar-methyl- IV.A-3, IX.A-22
771. 621-54-5 1 1 1 Benzenepropanoic acid, 3-hydroxy- IV.A-3, IX.A-22
772. 501-97-3 1 1 1 Benzenepropanoic acid, 4-hydroxy- IV.A-3, IX.A-22
773. 156-39-8 1 0 0 Benzenepropanoic acid, 4-hydroxy-α-oxo- IV.A-3, IX.A-22
774. 5597-50-2 1 0 0 Benzenepropanoic acid, 4-hydroxy-, methyl ester V-3, IX.A-22
775. 1135-23-5 1 0 0 Benzenepropanoic acid, 4-hydroxy-3-methoxy- {hydroferulic acid}
IV.A-3, IX.A-22, X-2
776. 96937-36-9 1 0 0 Benzenepropanoic acid, ar,ar-dihydroxy-ar-methoxy-
IV.A-3, IX.A-22, X-2
777. 96937-35-8 1 0 0 Benzenepropanoic acid, ar,ar-dihydroxy-ar-methyl- IV.A-3, IX.A-22, X-2
778. 122-97-4 1 1 1 Benzenepropanol {3-phenyl-1-propanol} C6H5-CH2-CH2-CH2OH II.A-5
779. 1992-50-3 1 0 0 Benzenepropanol, α-ethyl- C6H5-CH2-CH2-CH(C2H5)OH II.A-5
780. 2845-25-2 1 0 0 Benzenepropanol, γ-ethyl-, (S)- C6H5-CH(C2H5)-CH2-CH2OH II.A-5
781. 10210-17-0 1 0 0 Benzenepropanol, 4-hydroxy- II.A-5, IX.A-22
782. 19044-88-3 0 1 0 Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro- {Oryzalin®}
XVI-1, XVIII.A-1, XXI-3
783. 108-98-5 1 0 0 Benzenethiol {phenyl mercaptan} C6H5-SH XVIII.A-1
784. 87-66-1 1 1 1 1,2,3-Benzenetriol {pyrogallol} IX.A-22
31
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
785. 533-73-3 1 0 0 1,2,4-Benzenetriol {hydroxyhydroquinone} IX.A-22
786. 1 0 0 1,2,4-Benzenetriol, methyl- IX.A-22
787. 51-17-2 1 0 0 1H-Benzimidazole N
NH
XVII.E-6
788. 1 0 0 1H-Benzimidazole, C2-alkyl- XVII.E-6
789. 5851-44-5 1 0 0 1H-Benzimidazole, 2-butyl- XVII.E-6
790. 72692-74-1 1 0 0 1H-Benzimidazole, dimethyl- XVII.E-6
791. 2876-08-6 1 0 0 1H-Benzimidazole, 1,2-dimethyl- XVII.E-6
792. 72692-75-2 1 0 0 1H-Benzimidazole, ethyl- XVII.E-6
793. 30304-58-6 1 0 0 1H-Benzimidazole, methyl- XVII.E-6
794. 1632-83-3 1 0 0 1H-Benzimidazole, 1-methyl- XVII.E-6
795. 615-15-6 1 0 0 1H-Benzimidazole, 2-methyl- XVII.E-6
796. 946-18-9 1 0 0 1H-Benzimidazole, 2-(3-methylbutyl)- XVII.E-6
797. 82326-40-7 1 0 0 1H-Benzimidazole, 2-(2-naphthalenylmethyl)- XVII.E-6
798. 148-79-8 1 1 1 1H-Benzimidazole, 2-(4-thiazolyl)- {Thiabendazole®}
N
NH
N
S
XVIII.A-1
799. 3363-56-2 0 1 0 1H-Benzimidazole, 2,5,6-trimethyl- XVII.E-6
800. 10605-21-7 0 1 0 1H-Benzimidazole-2-carbamic acid, methyl ester {Carbendazim®}
NH
N
NH-COO-CH3
V-3, XXI-3
801. 17804-35-2 0 1 0 1H-Benzimidazole-2-carbamic acid, 1-(butylcarbamomyl)-, methyl ester {Benomyl®} N
N
NH-COO-CH3
CO-NH-C4H9
V-3, XXI-3
802. 232-54-2 1 0 0 1H-Benz[e]indene
I.E-6
803. 1 0 0 1H-Benz[e]indene, dimethyl- I.E-6
804. 1 0 0 1H-Benz[e]indene, ethylmethyl- I.E-6
805. 64031-90-9 1 0 0 1H-Benz[e]indene, methyl- I.E-6
806. 268-40-6 1 0 0 1H-Benz[f]indene
I.E-6
807. 60826-71-3 1 0 0 1H-Benz[f]indene, dimethyl- I.E-6
808. 71265-34-4 1 0 0 1H-Benz[f]indene, ethylmethyl- I.E-6
809. 60826-63-3 1 0 0 1H-Benz[f]indene, methyl- I.E-6
810. 1 0 0 Benzocarbazole XVII.E-6
811. 1 0 0 Benzocarbazole, dimethyl- XVII.E-6
812. 1 0 0 Benzocarbazole, methyl- XVII.E-6
813. 239-01-0 1 0 0 11H-Benzo[a]carbazole
NH
XVII.E-6
32
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
814. 243-28-7 1 0 0 5H-Benzo[b]carbazole
NH
XVII.E-6
815. 205-25-4 1 0 0 7H-Benzo[c]carbazole
NH
XVII.E-6
816. 214-17-5 1 0 0 Benzo[b]chrysene {dibenzo[b,h]phenanthrene}
I.E-6
817. 146506-80-1 1 0 0 Benzo[g]chrysene, methyl- I.E-6
818. 7099-43-6 1 0 0 1H-Benzo[a]cyclopent[h]anthracene, 2,3-dihydro- {5,6-cyclopentano-1,2-benzanthracene, 2,3-dihydro-}
I.E-6
819. 7099-42-5 1 0 0 9H-Benzo[a]cyclopent[i]anthracene, 10,11-dihydro- {6,7-cyclopentano-1,2-benzanthracene, 9,10-dihydro-}
I.E-6
820. 3811-49-2 0 1 0 4H-1,3,2-Benzodioxaphosphorin-2-sulfide, 2-methoxy- {Salithion®}
OP
O
S
OCH3
X-2, XVIII.A-1,
XXI-3
821. 51-03-6 0 1 0 1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl- {piperonyl butoxide}
O
O
O[ O
]
(CH2)2-CH3
(CH2)3-CH3
2
X-2, XXI-3
822. 607-91-0 1 1 1 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- {myristicin}
OCH3
O
O
CH2
H2C=CH=CH2
1
3
4
5
6
7
X-2
823. 94-59-7 0 1 0 1,3-Benzodioxole, 5-(2-propenyl)- {safrole} X-2
824. 120-57-0 1 1 1 1,3-Benzodioxole-5-carboxaldehyde {piperonal; heliotropin}
O
O
CH=O
2
1
3 45
III-12, X-2
825. 56832-73-6 1 0 0 Benzofluoranthene I.E-6
826. 1 0 0 Benzofluoranthene, dimethyl- I.E-6
827. 1 0 0 Benzofluoranthene, ethyl- I.E-6
828. 1 0 0 Benzofluoranthene, methyl- I.E-6
829. 16135-81-2
42126-84-1
1 0 0 11H-Benzo[cd]fluoranthene 1
2
3
45
6
7
8
9
10 11
I.E-6
33
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
830. 203-12-3 1 0 0 Benzo[ghi]fluoranthene
a
b
c
d
e f
g
h i
I.E-6
831. 64760-14-1 1 0 0 Benzo[ghi]fluoranthene, dimethyl- I.E-6
832. 71265-35-5 1 0 0 Benzo[ghi]fluoranthene, ethyl- I.E-6
833. 51001-44-6 1 0 0 Benzo[ghi]fluoranthene, methyl- I.E-6
834. 71265-21-9 1 0 0 Benzo[ghi]fluoranthene, 1-methyl- I.E-6
835. 71265-22-0 1 0 0 Benzo[ghi]fluoranthene, 2-methyl- I.E-6
836. 71265-23-1 1 0 0 Benzo[ghi]fluoranthene, 3-methyl- I.E-6
837. 71265-24-2 1 0 0 Benzo[ghi]fluoranthene, 4-methyl-
{also known as 7-methylbenzo[ghi]fluoranthene}
I.E-6
838. 205-82-3 1 0 0 Benzo[j]fluoranthene
I.E-6
839. 60826-67-7 1 0 0 Benzo[j]fluoranthene, methyl- I.E-6
840. 207-08-9 1 0 0 Benzo[k]fluoranthene
I.E-6
841. 41637-93-8 1 0 0 Benzo[k]fluoranthene, methyl- I.E-6
842. 1 0 0 Benzofluorene I.E-6
843. 1 0 0 Benzofluorene, alkyl- I.E-6
844. 77271-50-2 1 0 0 Benzofluorene, dimethyl-
{at least three isomers in MSS}
I.E-6
845. 60918-47-0 1 0 0 Benzofluorene, methyl- {at least four isomers in MSS}
I.E-6
846. 77271-51-3 1 0 0 Benzofluorene, tetramethyl- {at least two isomers in MSS}
I.E-6
847. 1 0 0 Benzofluorene, trimethyl- I.E-6
848. 30777-18-5 1 0 0 Benzo[a]fluorene I.E-6
849. 238-79-9 1 0 0 5H-Benzo[a]fluorene 12
3
4
5678
9
10
11
a
b
I.E-6
850. 238-84-6 1 0 0 11H-Benzo[a]fluorene 12
3
4
5678
9
1011
I.E-6
851. 1 0 0 11H-Benzo[a]fluorene, dimethyl- I.E-6
852. 60826-64-4 1 0 0 11H-Benzo[a]fluorene, methyl- I.E-6
853. 71265-25-3 1 0 0 11H-Benzo[a]fluorene, 11-methyl- I.E-6
854. 71607-85-7 1 0 0 11H-Benzo[a]fluorene, trimethyl-
{at least three isomers in MSS}
I.E-6
855. 30777-19-6 1 0 0 5H-Benzo[b]fluorene I.E-6
34
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
856. 243-17-4 1 0 0 11H-Benzo[b]fluorene 1
2
3
45
678
9
1011
a
b
I.E-6
857. 60826-65-5 1 0 0 11H-Benzo[b]fluorene, methyl- I.E-6
858. 1 0 0 11H-Benzo[b]fluorene, 9-methyl- I.E-6
859. 1 0 0 Benzo[c]fluorene, methyl- I.E-6
860. 205-12-9 1 0 0 7H-Benzo[c]fluorene a
bc
6
1
2 3
4
5
78
9
1011
I.E-6
861. 60826-66-6 1 0 0 7H-Benzo[c]fluorene, methyl- I.E-6
862. 1 0 0 11H-Benzo[c]fluorene a
bc
6
1
2 3
4
5
78
9
1011
I.E-6
863. 1 0 0 11H-Benzo[c]fluoren-11-one
O
III-13
864. 271-89-6 1 0 0 Benzofuran {benzo[b]furan; coumarone} O
2
34
5
6
7
X-2
865. 25586-39-4 1 0 0 Benzofuran, dimethyl- {3 isomers detected}
X-2
866. 58924-34-8 1 0 0 Benzofuran, ethyl- X-2
867. 71265-37-7 1 0 0 Benzofuran, ethyldimethyl- X-2
868. 25586-38-3 1 0 0 Benzofuran, methyl- {3 isomers detected}
X-2
869. 13054-97-2 1 0 0 Benzofuran, octahydro- X-2
870. 71265-38-8 1 0 0 Benzofuran, pentamethyl- X-2
871. 36618-49-2 1 0 0 Benzofuran, tetramethyl- X-2
872. 36541-17-0 1 0 0 Benzofuran, trimethyl- X-2
873. 496-16-2 1 1 1 Benzofuran, 2,3-dihydro- {coumaran} X-2
874. 71265-36-6 1 0 0 Benzofuran, 2,3-dihydromethyl- X-2
875. 1746-11-6 0 1 0 Benzofuran, 2,3-dihydro-2-methyl- X-2
876. 3782-00-1 1 0 0 Benzofuran, 2,3-dimethyl- X-2
877. 28715-26-6 1 0 0 Benzofuran, 2,3-dimethyl- X-2
878. 1 0 0 Benzofuran, 2,3,3a,4,5,7a-hexahydro-4,4,7a-trimethyl-
O
2
33a
4
5
6
7
7a
X-2
879. 4265-25-2 1 0 0 Benzofuran, 2-methyl- X-2
880. 1 0 0 Benzofuran, 3-ethyl- X-2
881. 17059-52-8 1 0 0 Benzofuran, 5-methyl- X-2
35
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
882. 494-90-6 1 0 0 Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl- X-2
883. 1 0 0 Benzofuran, 4-hydroxy-5,6-dimethyl- IX.A-22, X-2
884. 60026-12-2 1 1 1 Benzofuran, 5-hydroxy-6,7-dimethyl- IX.A-22, X-2
885. 35355-35-2 0 1 0 Benzofuran, 5-methoxy-6,7-dimethyl- IX.A-22, X-2
886. 16655-82-6 1 1 1 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate) {3-Hydroxycarbofuran®}
OOC-NH-CH3
O CH3
CH3
OH
II.A-5, V-3, X-2,
XXI-3
887. 1 0 0 1,3-Benzofurandione, 5-(1,1-dimethylheptyl)- III-13, VII-1
888. 31297-30-0 1 0 0 2,3-Benzofurandione, 2,3-dihydro-4,7-dimethyl- III-13, VI-3
889. 19355-58-9 0 1 0 2,6-Benzofurandione, 4,5,7,7a-tetrahydro-4,4,7a-trimethyl-
O1
2
34
5
6
7
3a
7aO
O
III-13, VI-3
890. 73051-72-6 0 1 0 2-Benzofuranmethanol, 2,4,5,6,7,7a-hexahydro-6-
hydroxy-α,4,4,7a-tetramethyl-
II.A-5
891. 0 1 0 6-Benzofuranol, 4,5,7,7a-tetrahydro-2-(1-hydroxyethyl)-4,4,7a- trimethyl-
H3C CH3
OH
CH3HO O
CH3
II.A-5, X-2
892. 39815-67-3 0 1 0 6-Benzofuranol, octahydro-4,4,7a-trimethyl-
OHO
12
34
5
6
7
3a
7a
II.A-5, X-2
893. 1563-66-2 1 1 1 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate = Methylcarbamic acid, 2,3-dihydro-2,2-dimethyl-7benzofuranyl ester
{Furadan®; Carbofuran®}
OOC-NH-CH3
O CH3
CH3
X-2, XXI-3
894. 26225-79-6 0 1 0 7-Benzofuranol, 2,3-dihydro-3,3-dimethyl-2-ethoxy-, methanesulfonate {Ethofumesate®}
O
O-C2H5
H3C-SO2-O
X-2, XVIII.A-1,
XXI-3
895. 13341-72-5 0 1 0 Benzofuranone, dimethyltetrahydro- VI-3
896. 1 0 0 2(3H)-Benzofuranone VI-3
897. 61892-48-6 1 0 0 2(3H)-Benzofuranone, hexahydro-3a-hydroxy- II.A-5, VI-3
898. 16778-27-1 1 1 1 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl- {mariolide; dihydroactinidiolide}
O
O1
2
34
5
6
7
7a
VI-3
899. 37531-06-9 0 1 0 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-, (Z)-
VI-3
900. 37531-07-0 0 1 0 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-, (E)-
VI-3
901. 0 1 0 2(3H)-Benzofuranone, octahydro-4,4,7a-trimethyl- {tetrahydroactinidiolide}
VI-3
36
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
902. 19432-09-8 1 1 1 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-4,4,7a-trimethyl-, cis-
O
O
VI-3
903. 75840-26-5 0 1 0 2(4H)-Benzofuranone, 5,6-dihydro-3,6-dimethyl- VI-3
904. 17063-17-1 0 1 0 2(4H)-Benzofuranone, 5,7a-dihydro-4,4,7a-trimethyl-, (R)-
VI-3
905. 82395-89-9 0 1 0 2(4H)-Benzofuranone, 6-(β-D-glucopyranosyloxy)-5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (6S-Z)-
VI-3
906. 10481-90-0 0 1 0 2(4H)-Benzofuranone, 6-hydroxy-5,6,7,7a-
tetrahydro-4,4,7a-trimethyl-, Z-(±)- {loliolide}
VI-3
907. 5989-02-6 1 1 1 2(4H)-Benzofuranone, 6-hydroxy-5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (6S-Z)-
VI-3
908. 38725-47-2 0 1 0 2(4H)-Benzofuranone, tetrahydro-4,4,7a-trimethyl- VI-3
909. 15356-74-8 1 1 1 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
VI-3
910. 17092-92-1 1 1 1 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-
VI-3
911. 124052-02-4 0 1 0 3(2H)-Benzofuranone, 2-(3,4-dihydroxyphenyl)-2,4,6-trihydroxy-
III-13, IX.A-22
912. 117769-21-8 0 1 0 5(4H)-Benzofuranone, 2,7a-dihydro-2-(1-hydroxyethyl)-4,4-dimethyl-
III-13, VI-3, X-2
913. 39815-70-8 0 1 0 6(2H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-
O O
2
34
5
67
III-13, X-2
914. 70875-03-5 0 1 0 6(2H)-Benzofuranone, 4,5,7,7a-tetrahydro-2-(1-hydroxyethyl)-4,4,7a-trimethyl-
O O OH
2
345
6
7
II.A-5, III-13, X-2
915. 39815-73-1 0 1 0 6(2H)-Benzofuranone, 4,5,7,7a-tetrahydro-4,4,7a-trimethyl-
III-13, X-2
916. 65-85-0 1 1 1 Benzoic acid {benzenecarboxylic acid} COOH
2
3
4
5
6
IV.A-3
917. 136-60-7 1 0 0 Benzoic acid, butyl ester C6H5-COO-(CH2)3-CH3 V-3
918. 96937-46-1 1 0 0 Benzoic acid, dihydroxy-dimethyl- IV.A-3, IX.A-22
919. 96937-47-2 1 0 0 Benzoic acid, dihydroxy-ethyl- IV.A-3, IX.A-22
920. 96937-44-9 1 0 0 Benzoic acid, dimethyl-hydroxy- IV.A-3, IX.A-22
921. 93-89-0 1 0 0 Benzoic acid, ethyl ester {ethyl benzoate} C6H5-COO-CH2-CH3 V-3
922. 96937-43-8 1 0 0 Benzoic acid, ethyl-hydroxy- IV.A-3, IX.A-22
923. 6789-88-4 0 1 0 Benzoic acid, hexyl ester C6H5-COO-(CH2)5-CH3 V-3
924. 87323-67-9 1 0 0 Benzoic acid, hydroxy-methoxy- IV.A-3, IX.A-22
925. 28965-86-8 1 0 0 Benzoic acid, hydroxy-methyl- IV.A-3, IX.A-22
926. 1 0 0 Benzoic acid, methyl- {toluic acid} IV.A-3
927. 93-58-3 1 1 1 Benzoic acid, methyl ester {methyl benzoate} C6H5-COO-CH3 V-3
928. 2049-96-9 1 0 0 Benzoic acid, pentyl ester {amyl benzoate} C6H5-COO-(CH2)4-CH3 V-3
929. 93-99-2 0 1 0 Benzoic acid, phenyl ester C6H5-COO-C6H5 V-3
37
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
930. 120-51-4 1 1 1 Benzoic acid, phenylmethyl ester
{benzyl benzoate}
C6H5-COO-CH2-C6H5 V-3
931. 2315-68-6 1 1 1 Benzoic acid, propyl ester C6H5-COO-(CH2)2-CH3 V-3
932. 532-32-1 0 1 0 Benzoic acid, sodium salt XX-6
933. 118-92-3 0 1 0 Benzoic acid, 2-amino- IV.A-3, XII-2
934. 134-20-3 0 1 0 Benzoic acid, 2-amino-, methyl ester
{methyl anthranilate}
V-3
935. 612-19-1 1 0 0 Benzoic acid, 2-ethyl- IV.A-3
936. 10366-91-3 0 1 0 Benzoic acid, 2-(β-D-glucopyranosyloxy)- II.A-5, IV.A-3
937. 612-20-4 1 0 0 Benzoic acid, 2-(hydroxymethyl)- II.A-5, IV.A-3
938. 85-91-6 0 1 0 Benzoic acid, 2-(methylamino)-, methyl ester V-3
939. 69-72-7 1 1 1 Benzoic acid, 2-hydroxy- {salicylic acid} IV.A-3, IX.A-22
940. 118-61-6 0 1 0 Benzoic acid, 2-hydroxy-, ethyl ester {ethyl salicylate}
V-3, IX.A-22
941. 6259-76-3 0 1 0 Benzoic acid, 2-hydroxy-, hexyl ester V-3, IX.A-22
942. 119-36-8 1 1 1 Benzoic acid, 2-hydroxy-, methyl ester
{methyl salicylate}
V-3, IX.A-22
943. 87-20-7 0 1 0 Benzoic acid, 2-hydroxy-, 3-methylbutyl ester
{isoamyl salicylate}
V-3, IX.A-22
944. 87-19-4 0 1 0 Benzoic acid, 2-hydroxy-, 2-methylpropyl ester {isobutyl salicylate}
V-3, IX.A-22
945. 118-55-8 0 1 0 Benzoic acid, 2-hydroxy-, 2-phenylethyl ester
{phenethyl salicylate}
V-3, IX.A-22
946. 118-58-1 0 1 0 Benzoic acid, 2-hydroxy-, phenylmethyl ester
{benzyl salicylate}
V-3, IX.A-22
947. 50-85-1 1 0 0 Benzoic acid, 2-hydroxy-4-methyl- IV.A-3, IX.A-22
948. 579-75-9 0 1 0 Benzoic acid, 2-methoxy- {o-anisic acid} IV.A-3, X-2
949. 118-90-1 1 1 1 Benzoic acid, 2-methyl- {o-toluic acid} IV.A-3
950. 94-47-3 0 1 0 Benzoic acid, 2-phenylethyl ester {2-phenylethyl benzoate}
V-3
951. 583-04-0 0 1 0 Benzoic acid, 2-propenyl ester V-3
952. 303-38-8 1 1 1 Benzoic acid, 2,3-dihydroxy- IV.A-3, IX.A-22
953. 3934-81-4 1 0 0 Benzoic acid, 2,3-dihydroxy-4-methoxy- IV.A-3, IX.A-22, X-2
954. 3929-89-3 1 0 0 Benzoic acid, 2,3-dihydroxy-4-methyl- IV.A-3, IX.A-22
955. 603-79-2 1 0 0 Benzoic acid, 2,3-dimethyl- IV.A-3
956. 610-02-6 1 0 0 Benzoic acid, 2,3,4-trihydroxy- IV.A-3, IX.A-22
957. 89-86-1 1 0 0 Benzoic acid, 2,4-dihydroxy- {β-resorcylic acid} IV.A-3, IX.A-22
958. 490-79-9 1 1 1 Benzoic acid, 2,5-dihydroxy- {gentisic acid} IV.A-3, IX.A-22, XXI-3
959. 96937-49-4 1 0 0 Benzoic acid, 2,5-dihydroxy-methyl- IV.A-3, IX.A-22
960. 610-72-0 1 0 0 Benzoic acid, 2,5-dimethyl- IV.A-3
961. 303-07-1 1 1 1 Benzoic acid, 2,6-dihydroxy- IV.A-3, IX.A-22
962. 619-20-5 1 0 0 Benzoic acid, 3-ethyl- IV.A-3
963. 99-06-9 1 1 1 Benzoic acid, 3-hydroxy- IV.A-3, IX.A-22
38
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
964. 19438-10-9 1 0 0 Benzoic acid, 3-hydroxy-, methyl ester V-3, IX.A-22
965. 645-08-9 1 0 0 Benzoic acid, 3-hydroxy-4-methoxy- {isovanillic acid}
IV.A-3, IX.A-22, X-2
966. 87513-63-1 0 1 0 Benzoic acid, 3-hydroxy-6-methoxy-, methyl ester V-3, IX.A-22, X-2
967. 586-30-1 1 1 1 Benzoic acid, 3-hydroxy-4-methyl- IV.A-3, IX.A-22
968. 586-38-9 1 1 1 Benzoic acid, 3-methoxy- IV.A-3, X-2
969. 99-04-7 1 1 1 Benzoic acid, 3-methyl- {m-toluic acid} IV.A-3
970. 0 1 0 Benzoic acid, 3-methylbutyl ester V-3
971. 99-50-3 1 1 1 Benzoic acid, 3,4-dihydroxy- {protocatechuic acid} IV.A-3
972. 96937-39-2 1 0 0 Benzoic acid, 3,4-dihydroxy-dimethyl- IV.A-3, IX.A-22
973. 96937-40-5 1 0 0 Benzoic acid, 3,4-dihydroxy-methyl- IV.A-3, IX.A-22
974. 1 0 0 Benzoic acid, 3,4-dihydroxy-C4-alkyl-methyl- IV.A-3, IX.A-22
975. 93-07-2 0 1 0 Benzoic acid, 3,4-dimethoxy- IV.A-3, X-2
976. 619-04-5 1 0 0 Benzoic acid, 3,4-dimethyl- IV.A-3
977. 149-91-7 1 0 0 Benzoic acid, 3,4,5-trihydroxy- {gallic acid} IV.A-3, IX.A-22
978. 121-79-9 1 0 0 Benzoic acid, 3,4,5-trihydroxy-, propyl ester
{propyl gallate}
V-3, IX.A-22
979. 99-10-5 1 0 0 Benzoic acid, 3,5-dihydroxy- IV.A-3, IX.A-22
980. 499-06-9 0 1 0 Benzoic acid, 3,5-dimethyl- IV.A-3
981. 1918-00-9 0 1 0 Benzoic acid, 3,6-dichloro-2-methoxy-
{Dicamba®}
IV.A-3, X-2, XVIII.B-3, XXI-3
982. 126-64-7 0 1 0 Benzoic acid, 3,7-dimethyl-1,6-octadien-6-yl ester {linalyl benzoate}
V-3
983. 619-64-7 1 0 0 Benzoic acid, 4-ethyl- IV.A-3
984. 32142-31-7 0 1 0 Benzoic acid, 4-(β-D-glucopyranosyloxy)-3-methoxy-
II.A-5, IV.A-3, VIII-3, X-2
985. 99-96-7 1 1 1 Benzoic acid, 4-hydroxy- {p-salicylic acid} IV.A-3, IX.A-22
986. 35285-68-9 0 1 0 Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt COO-C2H5NaO
V-3, XX-6
987. 99-76-3 1 0 0 Benzoic acid, 4-hydroxy-, methyl ester V-3, IX.A-22
988. 530-57-4 1 1 1 Benzoic acid, 4-hydroxy-3,5-dimethoxy-
{syringic acid}
IV.A-3, IX.A-22, X-2
989. 121-34-6 1 1 1 Benzoic acid, 4-hydroxy-3-methoxy- {vanillic acid} IV.A-3, IX.A-22, X-2, XXI-3
990. 617-05-0 0 1 0 Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester V-3, IX.A-22, X-2
991. 3943-74-6 1 0 0 Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester V-3, IX.A-22, X-2
992. 96937-45-0 1 0 0 Benzoic acid, 4-hydroxy-methyl- IV.A-3, IX.A-22
993. 121-98-2 0 1 0 Benzoic acid, 4-methoxy-, methyl ester {methyl anisate}
V-3, X-2
994. 99-94-5 0 1 0 Benzoic acid, 4-methyl- {p-toluic acid} IV.A-3
995. 3619-22-5 1 0 0 Benzoic acid, 4-methyl-, hydrazide XIII-1
996. 1 0 0 Benzoisoquinoline XVII.E-6
997. 1 0 0 Benzoisoquinoline, dimethyl- XVII.E-6
39
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
998. 1 0 0 Benzoisoquinoline, methyl- XVII.E-6
999. 1 0 0 Benzoisoquinoline, tetramethyl- XVII.E-6
1000. 1 0 0 Benzoisoquinoline, trimethyl- XVII.E-6
1001. 226-88-0 1 0 0 Benzo[a]naphthacene
I.E-6
1002. 239-30-5 1 0 0 Benzo[b]naphtho[2,1-d]furan X-2
1003. 243-42-5 1 0 0 Benzo[b]naphtho[2,3-d]furan X-2
1004. 1 0 0 Benzo[b]naphtho[2,1-d]thiophene XVIII.A-1
1005. 100-47-0 1 1 1 Benzonitrile {phenyl cyanide} C6H5-CN XI-2
1006. 1 0 0 Benzonitrile, C2-alkyl- {2 isomers detected} XI-2
1007. 1 0 0 Benzonitrile, C3-alkyl- {5 isomers detected} XI-2
1008. 6136-68-1 1 0 0 Benzonitrile, 3-acetyl- XI-2
1009. 1885-29-6 1 0 0 Benzonitrile, 2-amino- {anthranilonitrile} XI-2, XII-2
1010. 36541-24-9 1 0 0 Benzonitrile, dimethyl- XI-2
1011. 5724-56-1 1 0 0 Benzonitrile, 2,3-dimethyl- XI-2
1012. 21789-36-6 1 0 0 Benzonitrile, 2,4-dimethyl- XI-2
1013. 13730-09-1 1 0 0 Benzonitrile, 2,5-dimethyl- XI-2
1014. 6575-13-9 1 0 0 Benzonitrile, 2,6-dimethyl- XI-2
1015. 22884-95-3 1 0 0 Benzonitrile, 3,4-dimethyl- XI-2
1016. 34136-59-9 1 0 0 Benzonitrile, 2-ethyl- XI-2
1017. 25550-22-5 1 0 0 Benzonitrile, methyl- XI-2
1018. 529-19-1 1 0 0 Benzonitrile, 2-methyl- XI-2
1019. 34136-57-7 1 0 0 Benzonitrile, 3-ethyl- XI-2
1020. 873-62-1 1 0 0 Benzonitrile, 3-hydroxy- XI-2, IX.A-22
1021. 620-22-4 1 0 0 Benzonitrile, 3-methyl- XI-2
1022. 3435-51-6 1 0 0 Benzonitrile, 4-ethenyl- XI-2
1023. 25309-65-3 1 0 0 Benzonitrile, 4-ethyl- XI-2
1024. 767-00-0 1 0 0 Benzonitrile, 4-hydroxy- XI-2
1025. 104-85-8 1 0 0 Benzonitrile, 4-methyl- XI-2
1026. 60484-66-4 1 0 0 Benzonitrile, 4-propyl- XI-2
1027. 1 0 0 Benzonitrile, trimethyl- XI-2
1028. 189-55-9 1 0 0 Benzo[rst]pentaphene {dibenzo[a,i]pyrene}
I.E-6
1029. 11057-45-7 1 0 0 Benzoperylene I.E-6
1030. 197-70-6 1 0 0 Benzo[b]perylene
I.E-6
40
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1031. 191-24-2 1 0 0 Benzo[ghi]perylene
I.E-6
1032. 64760-22-1 1 0 0 Benzo[ghi]perylene, dimethyl- {at least 3 isomers in MSS}
I.E-6
1033. 41699-09-6 1 0 0 Benzo[ghi]perylene, methyl- {at least 2 isomers in MSS}
I.E-6
1034. 64760-23-2 1 0 0 Benzo[ghi]perylene, trimethyl- {at least 2 isomers in MSS}
I.E-6
1035. 195-19-7 1 0 0 Benzo[c]phenanthrene
I.E-6
1036. 1 0 0 Benzo[c]phenanthrene, methyl- I.E-6
1037. 194-03-6 1 0 0 Benzo[lmn]phenanthridine {thebenidine}
N
1038. 4250-90-2 0 1 0 Benzo[g]pteridine-10(2H)-acetaldehyde, 3,4-dihydro-7,8-dimethyl-2,4-dioxo-
III-12, XVII.E-8
1039. 1086-80-2 0 1 0 Benzo[g]pteridine-2,4(1H,3H)-dione, 7,8-dimethyl- N O
NH
O
N
N
H3C
H3C
H
XIV-1, XVII.E-8
1040. 1088-56-8 0 1 0 Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8,10-trimethyl- N O
NH
O
N
N
H3C
H3C
CH3
XIV-1, XVII.E-8
1041. 0 1 0 2H-1-Benzopyran-3-carboxylic acid, 6,7-dihydroxy-2-oxo-
IV.A-3, VI-3, IX.A-22
1042. 19484-74-3 0 1 0 2H-1-Benzopyran-3-carboxylic acid, 7,8-dihydroxy-2-oxo-
IV.A-3, VI-3, IX.A-22
1043. 124052-01-3 0 1 0 2H-1-Benzopyran-3,4-dione, 2-(3,4-dihydroxyphenyl)-2,5,7-trihydroxy-
II.A-5, III-13, IX.A-22, X-2
1044. 59-02-9 1 1 1 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-
[2R*(4R*,8R*)]]- {α-tocopherol} O
CH3
HO
CH3
H3C
CH3
CH2-[CH2-CH2-CH(CH3)-CH2]3-H
IX.A-22,
X-2
1045. 148-03-8 1 0 0 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)- {β-tocopherol}
IX.A-22, X-2
1046. 7616-22-0 0 1 0 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
IX.A-22, X-2
41
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1047. 56084-94-7 0 1 0 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl)- [3E,7E,11E,15E,19E,23,E,27E]
{solanochromene; solanachromene}
O
HO
CH3
H3C
CH3
CH2-[CH2-CH=C(CH3)-CH2]8-H
IX.A-22,
X-2
1048. 91-64-5 1 1 1 2H-1-Benzopyran-2-one {coumarin}
OO
VI-3
1049. 26093-31-2 0 1 0 2H-Benzopyran-2-one, 7-amino-4-methyl- VI-3, XII-2
1050. 74712-71-3 0 1 0 2H-1-Benzopyran-2-one, 7-[[6-O-(6-deoxy-α-L-
mannopyranosyl)-β-D-glucopyranosyl]oxy]-6-methoxy-
II.A-5, VI-3, VIII-3
1051. 119-84-6 1 1 1 2H-1-Benzopyran-2-one, 3,4-dihydro- {dihydrocoumarin}
VI-3
1052. 305-01-1 1 1 1 2H-1-Benzopyran-2-one, 6,7-dihydroxy- {esculetin}
VI-3, IX.A-22
1053. 60091-00-1 0 1 0 2H-1-Benzopyran-2-one, 7-[(6-O-β-D-
glucopyranosyl-β-D-glucopyranosyl)oxy]-6-methoxy-
II.A-5, VI-3, X-2
1054. 531-75-9 1 1 1 2H-1-Benzopyran-2-one, 6-(β-D-glucopyranosyloxy)-7-hydroxy- {esculin}
II.A-5, VI-3, IX.A-22, X-2
O
O
OH
HO OH
HOCH2
HO OO
1055. 531-58-8 0 1 0 2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-6-hydroxy- {cichoriin
O
O
OH
HO OH
HOCH2
HO
O O
II.A-5, VI-3, IX.A-22, X-2, XXI-3
1056. 531-44-2 0 1 0 2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-6-methoxy- {scopolin}
O
O
OH
HO OH
HOCH2
O O
H3CO
II.A-5, VI-3, X-2
1057. 93-35-6 0 1 0 2H-1-Benzopyran-2-one, 7-hydroxy-
O OHO
VI-3, IX.A-22
1058. 148-83-4 0 1 0 2H-1-Benzopyran-2-one, 7-hydroxy-6-(3,7-dimethyl-2,6-octadienyl)- {ostruthin}
HO O O
H3C
CH3 CH3 VI-3, IX.A-22
1059. 92-61-5 1 1 1 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- {scopoletin}
O O O
H3CO
H VI-3, IX.A-22, X-2, XXI-3
1060. 90-33-5 0 1 0 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl- VI-3, IX.A-22
1061. 531-59-9 0 1 0 2H-1-Benzopyran-2-one, 7-methoxy- VI-3, X-2
42
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1062. 0 1 0 2H-1-Benzopyran-2-one, 8-methoxy- VI-3, X-2
1063. 71050-53-8 0 1 0 2H-1-Benzopyran-2-one, 6-methoxy-7-(β-D-xylofuranosyloxy)-
II.A-5, VI-3, VIII-3, X-2
1064. 18309-73-4 0 1 0 2H-1-Benzopyran-2-one, 6-methoxy-7-[(6-O-β-D-
xylopyranosyl-β-D-glucopyranosyl)oxy]-
II.A-5, VI-3, VIII-3, X-2
1065. 2445-82-1 1 0 0 2H-1-Benzopyran-2-one, 3-methyl- VI-3
1066. 92-48-8
66-76-2
1 0 0 2H-1-Benzopyran-2-one, 6-methyl-
2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy- {dicumarol}
VI-3, IX.A-22
Dicumarol not detected in MSS from coumarin-treated tobacco.
1067. 4430-31-3 0 1 0 2H-1-Benzopyran-2-one, octahydro- VI-3
1068. 970-73-0 0 1 0 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-E)-
O
OH
OH
HO
HO
HO
OH
2
34 5
6
7
8
1
34
5
II.A-5, IX.A-22, X-2
1069. 970-74-1 0 1 0 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-Z)-
II.A-5, IX.A-22, X-2
1070. 124052-00-2 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-2,3,5,7-tetrahydroxy-
II.A-5, IX.A-22, X-2
1071. 21637-25-2 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-
(β-D-glucofuranosyloxy)-5,7-dihydroxy-
{isoquercitrin}
II.A-5, III-13, IX.A-22, X-2, XXI-3
1072. 117-39-5 1 1 1 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy- {quercitin}
O
OH
OH
HO OOH
OH
12
34
5
6
7
II.A-5, III-13, IX.A-22, X-2
1073. 7215-44-3 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-
[(2-O-β-D-glucopyranosyl-D-glucopyranosyl)oxy]-5,7-dihydroxy-
II.A-5, III-13, IX.A-22, X-2
1074. 1486-70-0 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-
III-13, IX.A-22, X-2
1075. 2068-02-2 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-
III-13, IX.A-22, X-2
1076. 491-50-9 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-
(β-D-glucopyranosyloxy)-3,5-dihydroxy-
{quercimeritrin}
II.A-5, III-13, IX.A-22, X-2
1077. 124051-99-6 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-[[2-(3,4-dihydroxyphenyl)-2,3-dihydro-2,6-dihydroxy-3-oxo-4-benzofuranyl]oxy]-2,3-dihydro-3,5-dihydroxy-
III-13, IX.A-22, X-2
1078. 480-41-1 0 1 0 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (S)- {naringenin}
III-13, IX.A-22, X-2
43
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1079. 480-10-4 0 1 0 4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)- {kaempferol glycoside}
O
O
OH
HO OH
HOCH2
HO
O
O
OH
OH
II.A-5, III-13, IX.A-22, X-2
1080. 520-18-3 1 1 1 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- {kaempferol}
OHO
OH O
OH
OH
II.A-5, III-13, IX.A-22, X-2
1081. 55136-76-0 0 1 0 4H-1-Benzopyran-4-one, 3-[(2-O-β-D-
glucopyranosyl-β-D- glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
II.A-5, III-13, IX.A-22, X-2
1082. 142235-82-3 0 1 0 4H-1-Benzopyran-4-one, 3-[(2-O-β-D-
glucopyranosyl-β-D-galactopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
II.A-5, III-13, IX.A-22, X-2
1083. 19895-95-5 0 1 0 4H-1-Benzopyran-4-one, 3-[(2-O-β-D-
glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
II.A-5, III-13, IX.A-22, X-2
1084. 522-12-3 0 1 0 4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- {quercitrin}
II.A-5, III-13, IX.A-22, X-2
1085. 55696-57-6 0 1 0 4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-
mannopyranosyl-(1→2)-O-[6-deoxy-α-L-
mannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
II.A-5, III-13, IX.A-22, X-2
1086. 55804-74-5 0 1 0 4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-
mannopyranosyl-(1→2)-O-[6-deoxy-α-L-
mannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
II.A-5, III-13, IX.A-22, X-2
1087. 153-18-4 0 1 0 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-
mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- {rutin}
O
HO
O
O
OH
OH
HO
ruffinose
II.A-5,III-13,IX.A-22, X-2, XXI-3
1088. 17650-84-9 0 1 0 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-
mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
II.A-5, III-13, IX.A-22, X-2
1089. 30311-61-6 0 1 0 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-
mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-
dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-
II.A-5, III-13, IX.A-22, X-2
1090. 34336-18-0 0 1 0 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-
mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
II.A-5, III-13, IX.A-22, X-2
44
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1091. 29859-91-4 0 1 0 4H-1-Benzopyran-4-one, 3-[[O-(6-deoxy-L-mannosyl)-D-galactosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
II.A-5, III-13, IX.A-22, X-2
1092. 27554-19-4 0 1 0 4H-1-Benzopyran-4-one, 3-[[O-(6-deoxy-L-mannosyl)-D-glucosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy phenyl)-
II.A-5, III-13, IX.A-22, X-2
1093. 58934-57-9 0 1 0 4H-1-Benzopyran-4-one, 3-[[O-(6-
deoxymannosyl)glucosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
II.A-5, III-13, IX.A-22, X-2
1094. 828-82-0 1 0 0 4H-1-Benzopyran-4-one, 3-ethyl- III-13, X-2
1095. 520-34-3 0 1 0 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)- {diosmetin}
III-13, IX.A-22, X-2
1096. 4382-17-6 0 1 0 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-
III-13, IX.A-22, X-2
1097. 1 0 0 4H-1-Benzopyran-4-one, hydroxy- III-13, IX.A-22, X-2
1098. 38445-24-8 1 0 0 4H-1-Benzopyran-4-one, 6-hydroxy- III-13, IX.A-22, X-2
1099. 10236-47-2 0 1 0 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-
mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)- {naringin}
II.A-5, III-13, IX.A-22, X-2
1100. 0 1 0 4H-1-Benzopyran-4-one, 2-phenyl-, 3',4',5,5',7-pentahydroxy-3-[[O-(6-deoxymannosyl)-D-glucosyl]oxy]-
II.A-5, III-13, IX.A-22, X-2
1101. 0 1 0 4H-1-Benzopyran-4-one, 2-phenyl-, 3',4',5,7-tetrahydroxy-3-[[O-(6-deoxymannosyl)-D-glucosyl]oxy]-
II.A-5, III-13, IX.A-22, X-2
1102. 0 1 0 7H-1-Benzopyran-7-one, 2,4a,5,6,8,8a-hexahydro-2,5,5,8a-tetramethyl-
III-13, X-2
1103. 20194-67-6 1 1 1 7H-1-Benzopyran-7-one, 2,3,5,6,8,8a-hexahydro-2,5,5,8a-tetramethyl-
{1,5,5,9-tetramethyl-10-oxabicyclo[4.4.0]dec-6-en-3-one}
O O1
2
3
4
56
7
8
4a
8a
III-13, X-2
1104. 5835-18-7 1 1 1 7H-1-Benzopyran-7-one, octahydro-2,5,5,8a-tetramethyl-
{7-chromanone, hexahydro-2,5,5,8a-tetramethyl-} O O1
2
3
4
56
7
8
4a
8a
III-13, X-2
1105. 83-79-4 0 1 0 Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2α,6aα,12aα)]- {Rotenone®}
OCH3
OCH3
O
O
H3C
O
O
H
H
CH2
III-13, X-2,
XXI-3
1106. 1 0 0 Benzopyrene I.E-6
1107. 50-32-8 1 1 1 Benzo[a]pyrene {B[a]P} 1
2
3
4
567
8
9
10
11
12
I.E-6
45
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1108. 1 0 0 Benzo[a]pyrene, alkyl- I.E-6
1109. 1 0 0 Benzo[a]pyrene, 3,4-dihydro- I.E-6
1110. 17573-23-8 1 0 0 Benzo[a]pyrene, 7,8-dihydro-
I.E-6
1111. 25167-90-2 1 0 0 Benzo[a]pyrene, dimethyl- {at least 2 isomers in MSS}
I.E-6
1112. 1 0 0 Benzo[a]pyrene, ethyl- I.E-6
1113. 25167-89-9 1 0 0 Benzo[a]pyrene, methyl- {at least 2 isomers in MSS}
I.E-6
1114. 69453-35-6 1 0 0 Benzo[a]pyrenediol IX.A-22
1115. 63455-19-6 1 0 0 Benzo[a]pyrenol IX.A-22
1116. 20928-82-9 1 0 0 Benzo[a]pyren-6-yloxy IX.A-22
1117. 7130-15-6 1 0 0 3H-Benzo[cd]pyrene, 4,5-dihydro-
I.E-6
1118. 192-97-2 1 1 1 Benzo[e]pyrene {B[e]P}
I.E-6
1119. 41699-06-3 1 0 0 Benzo[e]pyrene, dimethyl- {at least 2 isomers in MSS}
I.E-6
1120. 41699-04-1 1 0 0 Benzo[e]pyrene, methyl- {at least 2 isomers in MSS}
I.E-6
1121. 64760-21-0 1 0 0 Benzo[e]pyrene, trimethyl- I.E-6
1122. 30907-88-1 0 1 0 6H-Benzo[c]pyrido[3,2,1-jk]carbazole
N
XVII.E-6
1123. 528-58-5 0 1 0 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride
IX.A-22, X-2, XVIII.B-3
1124. 22688-80-8 0 1 0 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-
β-D-glucopyranosyl-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride
II.A-5, IX.A-22, X-2, XVIII.B-3
1125. 528-53-0 0 1 0 1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
II.A-5, IX.A-22, XVIII.B-3
1126. 18719-76-1 0 1 0 1-Benzopyrylium, 3-[6-O-(6-deoxy-α-L-
mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4- dihydroxyphenyl)-5,7-dihydroxy-, chloride
II.A-5, IX.A-22, X-2, XVIII.B-3
1127. 33978-17-5 0 1 0 1-Benzopyrylium, 3-[6-O-(6-deoxy-α-L-
mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride
II.A-5, IX.A-22, X-2, XVIII.B-3
1128. 39327-16-7 1 0 0 Benzoquinoline {benzo[g]quinoline}
N
ab
cdef
g
XVII.E-6
1129. 1 0 0 Benzoquinoline, dimethyl- XVII.E-6
46
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1130. 1 0 0 Benzoquinoline, methyl- XVII.E-6
1131. 1 0 0 Benzoquinoline, tetramethyl- XVII.E-6
1132. 1 0 0 Benzoquinoline, trimethyl- XVII.E-6
1133. 1 0 0 Benzo[c]quinoline
{phenanthridine; 9-azaphenanthrene}
XVII.E-6
1134. 85-02-9 1 0 0 Benzo[f]quinoline {1-azaphenanthrene}
XVII.E-6
1135. 230-27-3 1 0 0 Benzo[h]quinoline {4-azaphenanthrene}
XVII.E-6
1136. 1 0 0 o-Benzosemiquinone radical XXVII-1
1137. 1 0 0 p-Benzosemiquinone radical XXVII-1
1138. 95-16-9 1 1 1 Benzothiazole {benzosulfonazole}
S
N
XVIII.A-1
1139. 120-78-5 0 1 0 Benzothiazole, 2,2’-dithiobis- {Thiofide®} N
S-
S_
_
_2
_
XVIII.A-1, XXI-3
1140. 615-22-5 0 1 0 Benzothiazole, 2-methylthio- XVIII.A-1
1141. 934-34-9 0 1 0 2(3H)-Benzothiazolone
S
N
O
H
XVIII.A-1
1142. 1128-67-2 1 0 0 2(3H)-Benzothiazolone, 3-methyl-, hydrazone XVIII.A-1
1143. 95-15-8 1 0 0 Benzo[b]thiophene
S
XVIII.A-1
1144. 1 0 0 Benzo[b]thiophene, C2-alkyl- XVIII.A-1
1145. 1 0 0 Benzo[b]thiophene, C3-alkyl- XVIII.A-1
1146. 1 0 0 Benzo[b]thiophene, methyl- {4 isomers reported} XVIII.A-1
1147. 14315-11-8 1 0 0 Benzo[b]thiophene, 4-methyl- XVIII.A-1
1148. 95-14-7 1 0 0 1H-Benzotriazole {1,2,3-triaza-1H-indene} NH
N
N
XVII.E-6
1149. 215-58-7 1 0 0 Benzo[b]triphenylene {dibenz[a,c]anthracene}
I.E-6
1150. 64760-20-9 1 0 0 Benzo[b]triphenylene, methyl- I.E-6
47
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1151. 17924-92-4 0 1 0 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, [S-(E)]-
II.A-5
1152. 273-53-0 1 0 0 Benzoxazole {1-oxa-3-azaindene}
O
N
1
2
34
5
6
7
XVII.D-2
1153. 1 0 0 Benzoxazole, C2-alkyl- XVII.D-2
1154. 72692-90-1 1 0 0 Benzoxazole, 2,4-dimethyl- XVII.D-2
1155. 5676-58-4 1 0 0 Benzoxazole, 2,5-dimethyl- XVII.D-2
1156. 72692-91-2 1 0 0 Benzoxazole, 4,6-dimethyl- XVII.D-2
1157. 78210-58-9 1 0 0 Benzoxazole, 5,7-dimethyl- XVII.D-2
1158. 78210-57-8 1 0 0 Benzoxazole, 7-ethyl- XVII.D-2
1159. 95-21-6 1 0 0 Benzoxazole, 2-methyl- XVII.D-2
1160. 27548-56-7 0 1 0 3-Benzoxepin-7-methanol, 5a,6,7,8,9,9a-
hexahydro-α,α,5,9a-tetramethyl-, (5aα,7α,9aα)-(-)-
II.A-5, X-2
1161. 7440-41-7 1 1 1 Beryllium Be XX-5
1162. 434-85-5 1 0 0 [9,9'-Bianthracene]-10,10'(9H,9'H)-dione {bianthrone; dianthraquinone}
2
3
45
6
7
8 1
9
O
O
III-13
1163. 121-46-0 0 1 0 Bicyclo[2.2.1]hepta-2,5-diene {norbornadiene}
I.C-1
1164. 79-92-5 1 1 1 Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene- {camphene}
I.C-1
1165. 8001-35-2 0 1 0 Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, polychlorinated {Toxaphene®}
XVIII.B-3, XXI-3
1166. 8001-50-1 0 1 0 Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, polychlorinated + Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, polychlorinated {Strobane®; Dichloricide®}
XVIII.B-3, XXI-3
1167. 509-11-5 0 1 0 Bicyclo[2.2.1]heptan-2-ol, 1,7-dimethyl-, (exo,anti)- II.A-5
1168. 507-70-0 1 1 1 Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, endo- {borneol}
CH3
OH
__ CH3H3C
II.A-5
1169. 125-12-2 0 1 0 Bicyclo[2,2,1]heptan-2-ol, 1,7,7-trimethyl-, acetate {isobornyl acetate}
V-3
1170. 2756-56-1 0 1 0 Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-
V-3
1171. 1195-79-5 0 1 0 Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl- III-13
1172. 4695-62-9 0 1 0 Bicyclo[2,2,1]heptan-2-one, 1,3,3-trimethyl- {d-fenchone}
III-13
48
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1173. 76-22-2 0 1 0 Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl- {camphor}
CH3
__ CH3H3C
O
III-13
1174. 498-66-8 1 0 0 Bicyclo[2.2.1]hept-2-ene {norbornene}
I.C-1
1175. 127-91-3
18172-67-3
1 1 1 Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-
{β-pinene}
I.C-1
1176. 22422-24-0 0 1 0 Bicyclo[3,1,1]heptane-2,3-diol, 2,6,6-trimethyl- {2,3-pinanediol}
HO
HO
II.A-5
1177. 80-56-8
7785-26-4
1 1 1 Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
{α-pinene}
I.C-1
1178. 4889-83-2 0 1 0 Bicyclo[3.1.1]hept-2-ene, 3,6,6-trimethyl- I.C-1
1179. 515-00-4 0 1 0 Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-
CH2OH
CH3
CH3
II.A-5
1180. 3387-41-5 0 1 0 Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- {sabinene}
I.C-1
1181. 471-16-9 0 1 0 Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-
methylethyl)-, [1S-(1α,3β,5α)]- {sabinol}
II.A-5
1182. 2867-05-2 0 1 0 Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- {3-thujene}
I.C-1
1183. 3917-48-4 0 1 0 Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-, (1R)-
I.C-1
1184. 92-51-3 1 1 1 1,1'-Bicyclohexyl {cyclohexylcyclohexane}
I.C-1
1185. 280-65-9 1 0 0 Bicyclo[3.3.1]nonane
I.C-1
49
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1186. 124749-69-5 1 0 0 Bicyclo[3.3.1]nonan-3-one, 1-hydroxy-6-(1-methylethyl)-, endo-
O
OH
CH3
H3C
II.A-5, III-13
1187. 123695-64-7 1 0 0 Bicyclo[3.3.1]nonan-3-one, 1-hydroxy-6-(1-methylethyl)-, exo-
II.A-5, III-13
1188. 61185-25-9 0 1 0 Bicyclo[3.3.1]non-6-en-2-one, 4,4,9-trimethyl-8-methylene-, anti-
H3C
CH3
OH2C
1 2
3
4
5
7
8
6
H3C 9
III-13
1189. 0 1 0 Bicyclo[3.3.1]non-6-en-2-one, 4,9,9-trimethyl-8-methylene-
III-13
1190. 13466-78-9 0 1 0 Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl- I.C-1
1191. 87-44-5 0 1 0 Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-
methylene-, [1R-(1R*,4E,9S*)]- {β-caryophyllene}
CH3
CH3
CH3
H2C
8
4
1
2
35
6
7
9
1011
I.C-1
1192. 32214-91-8 0 1 0 Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-
methylene-, acetate {β-caryophyllene acetate}
V-3
1193. 53093-94-0 0 1 0 2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1-methylethenyl)-, (Z)- (±)-
X-2
1194. 53093-95-1 0 1 0 2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1-methylethenyl)-, (E)- (±)-
X-2
1195. 53093-96-2 0 1 0 2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1-
methylethyl)-, (Z)- (±)-
X-2
1196. 53093-97-3 0 1 0 2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1-methylethyl)-, (E)- (±)-
X-2
1197. 20298-86-6 0 1 0 21H-Biline-8,12-dipropanoic acid, 18-ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3E)-
O
H3C CH
H3C
CH3
CH2
CH3 CH3 C2H5
CH
CH2
NH
NH
ONH
NH
(CH2)2(CH2)2
COOHHOOC
1
3
45
6
7 8
9 10
2
11
12 13
1415 16
17
19
18
IV.A-3, XVII.C-1
1198. 604-53-5 1 0 0 1,1'-Binaphthalene
I.E-6
1199. 71265-39-9 1 0 0 1,1'-Binaphthalene, dimethyl- I.E-6
1200. 71277-81-1 1 0 0 1,1'-Binaphthalene, ethyl- I.E-6
1201. 59615-45-5 1 0 0 1,1’-Binaphthalene, methyl- I.E-6
1202. 1 0 0 1,2’-Binaphthalene I.E-6
50
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1203. 612-78-2 1 0 0 2,2'-Binaphthalene
I.E-6
1204. 71294-43-4 1 0 0 2,2'-Binaphthalene, dimethyl- I.E-6
1205. 71277-82-2 1 0 0 2,2'-Binaphthalene, ethyl- I.E-6
1206. 41637-91-6 1 0 0 2,2'-Binaphthalene, methyl- I.E-6
1207. 92-52-4 1 1 1 1,1'-Biphenyl {diphenyl} 2'3'
4'
5' 6'
1' 1
2 3
4
56
I.D-1
1208. 2051-24-3 1 1 1 1,1'-Biphenyl, decachloro- XVIII.B-3
1209. 92-87-5 1 0 0 1,1’-Biphenyl, 4,4’-diamino- XII-2
1210. 61141-66-0 0 1 0 1,1’-Biphenyl, 3,4-diethyl- I.D-1
1211. 1133-63-7 1 0 0 1,1’-Biphenyl, 2,3-dihydroxy- IX.A-22
1212. 0 1 0 1,1'-Biphenyl, 3,4'-dimethyl- I.D-1
1213. 613-33-2 1 0 0 1,1'-Biphenyl, 4,4'-dimethyl- I.D-1
1214. 28013-11-8 1 1 1 1,1'-Biphenyl, ar,ar'-dimethyl- I.D-1
1215. 40529-66-6 1 0 0 1,1'-Biphenyl, ethyl- I.D-1
1216. 1 0 0 1,1'-Biphenyl, 2-ethyl- I.D-1
1217. 71277-83-3 1 0 0 1,1'-Biphenyl, ethylmethyl- I.D-1
1218. 28652-72-4 1 1 1 1,1'-Biphenyl, methyl- I.D-1
1219. 643-58-3 1 0 0 1,1'-Biphenyl, 2-methyl- I.D-1
1220. 643-93-6 1 0 0 1,1'-Biphenyl, 3-methyl- I.D-1
1221. 644-08-6 1 0 0 1,1'-Biphenyl, 4-methyl- I.D-1
1222. 92-93-3 1 0 0 1,1'-Biphenyl, 4-nitro- XVI-1
1223. 71294-42-3 1 0 0 1,1'-Biphenyl, propyl- I.D-1
1224. 30581-97-6 1 0 0 1,1'-Biphenyl, trimethyl- {3 isomers detected} I.D-1
1225. 90-41-5 1 0 0 [1,1'-Biphenyl]-2-amine XII-2
1226. 2243-47-2 1 0 0 [1,1'-Biphenyl]-3-amine XII-2
1227. 92-67-1 1 0 0 [1,1'-Biphenyl]-4-amine {4-aminobiphenyl} XII-2
1228. 1 0 0 [1,1'-Biphenyl]-ol IX.A-22
1229. 90-43-7 1 0 0 [1,1'-Biphenyl]-2-ol IX.A-22
1230. 92-69-3 1 0 0 [1,1'-Biphenyl]-4-ol IX.A-22
1231. 259-79-0 1 0 0 Biphenylene
I.E-6
1232. 531-67-9 0 1 0 2,2’-Bipiperidine
NH
NH
XVII.B-6
1233. 37275-48-2 1 0 0 Bipyridine XVII.B-6
1234. 78310-61-9 1 0 0 Bipyridine, dimethyl- {2 isomers detected} XVII.B-6
1235. 64859-48-9 1 0 0 Bipyridine, ethyl- XVII.B-6
1236. 64859-47-9 1 0 0 Bipyridine, methyl- {4 isomers in all} XVII.B-6
1237. 64859-47-8 1 0 0 Bipyridine, methyl- XVII.B-6
51
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1238. 78310-62-0 1 0 0 Bipyridine, phenyl- XVII.B-6
1239. 366-18-7 1 1 1 2,2'-Bipyridine {nicoteine} XVII.B-6
1240. 1 0 0 2,2’-Bipyridine, amino- XVII.B-6
1241. 78210-73-8 1 0 0 2,2'-Bipyridine, 4,5-dimethyl- XVII.B-6
1242. 56100-19-7 1 0 0 2,2'-Bipyridine, 4-methyl- XVII.B-6
1243. 581-50-0 1 1 1 2,3'-Bipyridine {isonicoteine}
N
N
3
4
5
6
2'
4'
5'
6'
XVII.B-6
1244. 1 0 0 2,3'-Bipyridine, dimethyl- XVII.B-6
1245. 1 0 0 2,3'-Bipyridine, methyl- XVII.B-6
1246. 2743-90-0 0 1 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-, (±)- XVII.B-6
1247. 1 0 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-, (R)- {d-anatabine}
XVII.B-6
1248. 581-49-7 1 1 1 2,3'-Bipyridine, 1,2,3,6-tetrahydro-, (S)- {l-anatabine}
N
NH
XVII.B-6
1249. 1 0 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-ethyl- XVII.B-6
1250. 1 0 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-methyl- XVII.B-6
1251. 61892-64-6 1 1 1 2,3'-Bipyridine, 1-acetyl-1,2,3,6-tetrahydro-, (S)- {N’-acetylanatabine}
N
N
CO-CH3
XVII.B-6
1252. 5953-51-5 1 1 1 2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-methyl-, (S)- XVII.B-6
1253. 96552-71-5 1 0 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-(1-oxohexyl)-, (S)- {N’-hexanoylanatabine}
XVII.B-6
1254. 96552-72-6 1 0 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-(1-oxooctyl)-, (S)- {N’-octanoylanatabine}
XVII.B-6
1255. 71267-22-6 1 1 1 2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-nitroso-, (S)- {NAT}
XV-8, XVII.B-6
1256. 61892-98-6 1 0 0 2,3'-Bipyridine, 1-ethyl-1,2,3,6-tetrahydro-, (S)- XVII.B-6
1257. 26636-59-9 1 0 0 2,3'-Bipyridine, 2'(or 3)-methyl- XVII.B-6
1258. 78210-76-1 1 0 0 2,3'-Bipyridine, 3-ethyl- XVII.B-6
1259. 78210-75-0 1 0 0 2,3'-Bipyridine, 4-(2-butenyl)- XVII.B-6
1260. 78210-74-9 1 0 0 2,3'-Bipyridine, 4-(2-propenyl)- XVII.B-6
1261. 38840-05-0 1 1 1 2,3'-Bipyridine, 4-methyl- XVII.B-6
1262. 20410-87-1 0 1 0 2,3'-Bipyridine, 5-(1-methyl-2-piperidinyl)-, (+)- XVII.B-6
1263. 0 1 0 2,3'-Bipyridine, 5-(2-piperidinyl)- {anabasamine} XVII.B-6
1264. 78210-79-4 1 0 0 2,3'-Bipyridine, 5-(1-propenyl)- XVII.B-6
1265. 78210-81-8 1 0 0 2,3'-Bipyridine, 5-ethenyl- XVII.B-6
52
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1266. 34671-89-1 1 0 0 2,3'-Bipyridine, 5-ethyl- XVII.B-6
1267. 26844-80-4 1 1 1 2,3'-Bipyridine, 5-methyl- XVII.B-6
1268. 78210-80-7 1 0 0 2,3'-Bipyridine, 5-propyl- XVII.B-6
1269. 78210-77-2 1 0 0 2,3'-Bipyridine, 6-ethyl- XVII.B-6
1270. 78210-78-3 1 0 0 2,3'-Bipyridine, 6-methyl- XVII.B-6
1271. 61892-65-7 1 1 1 [2,3'-Bipyridine]-1(2H)-carboxaldehyde, 3,6-dihydro-, (S)- {N’-formylanatabine}
III-12, XVII.B-6
1272. 96552-70-4 1 0 0 [2,3'-Bipyridine]-1(2H)-carboxylic acid, 3,6-dihydro-, methyl ester, (S)-
V-3, XVII.B-6
1273. 70898-21-4 1 0 0 [2,3'-Bipyridin]-6'(1'H)-one, 3,4,5,6-tetrahydro- XVII.B-6, XVII.C-1
1274. 581-47-5 1 1 1 2,4'-Bipyridine XVII.B-6
1275. 581-46-4 1 1 1 3,3'-Bipyridine XVII.B-6
1276. 38840-06-1 0 1 0 3,3'-Bipyridine, 4-methyl- XVII.B-6
1277. 78210-82-9 1 0 0 3,3'-Bipyridine, 5-methyl- XVII.B-6
1278. 78210-83-0 1 0 0 3,3'-Bipyridine, 6-methyl- XVII.B-6
1279. 553-26-4 1 1 1 4,4'-Bipyridine XVII.B-6
1280. 7440-69-9 1 1 1 Bismuth Bi XX-5
1281. 14331-79-4 1 1 1 Bismuth, isotope of mass 210 210
Bi XX-5
1282. 0 1 0 Bismuth, isotope of mass 216 216
Bi XX-5
1283. 7440-42-8 1 1 1 Boron B XX-5
1284. 24959-67-9 1 1 1 Bromide Br-1 XVIII.B-3, XX-5
1285. 7726-95-6 1 1 1 Bromine Br2 XVIII.B-3, XX-5
1286. 14686-69-2 1 1 1 Bromine, isotope of mass 82 82
Br2 XVIII.B-3, XX-5
1287. 25339-57-5 1 0 0 Butadiene I.B-1
1288. 1 0 0 Butadiene radical XXVII-1
1289. 590-19-2 1 0 0 1,2-Butadiene H2C=C=CH-CH3 I.B-1
1290. 106-99-0 1 0 0 1,3-Butadiene H2C=CH-CH=CH2 I.B-1
1291. 78-79-5 1 0 0 1,3-Butadiene, 2-methyl- {isoprene} H2C=C(CH3)-CH=CH2 I.B-1
1292. 1 0 0 1,3-Butadiene, 2-methyl- radical
{isoprene radical}
XXVII-1
1293. 1 0 0 1,3-Butadiene, 1,2,4-trialkyl-
1,3-Butadiene, 2-(4’,8’,12’-trimethyltridecyl)-
R-CH=C(R1)-CH=CH-R2 I.B-1
See: 1-Hexadecene, 3-methylene-7,11,15-trimethyl-
1294. 460-12-8 1 0 0 1,3-Butadiyne HC≡C-C≡CH I.B-1
1295. 123-72-8 1 1 1 Butanal {butyraldehyde} H3C-(CH2)2-CH=O III-12
1296. 0 1 0 Butanal, 4-amino- H2N-(CH2)3-CH=O III-12, XII-2
1297. 34764-22-2 1 0 0 Butanal, 3,4-dihydroxy- HOCH2-CHOH-CH2-CH=O II.A-5, III-12
1298. 2109-98-0 1 0 0 Butanal, 2,3-dimethyl- III-12
1299. 97-96-1 1 1 1 Butanal, 2-ethyl- {diethylacetaldehyde} (C2 H5)2=CH-CH=O III-12
1300. 107-89-1 1 0 0 Butanal, 3-hydroxy- {aldol} H3C-CHOH-CH2-CH=O II.A-5, III-12
1301. 0 1 0 Butanal, 3-hydroxy-2-oxo- {methylreductone} H3C-CHOH-CO-CH=O II.A-5, III-12, III-13
1302. 25714-71-0 1 0 0 Butanal, 4-hydroxy- HO-(CH2)3-CH=O II.A-5, III-12
1303. 1 0 0 Butanal, 4-(2-hydroxyethoxy)- HO-CH2CH2-O-(CH2)3-CH=O II.A-5, III-12, X-2
53
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1304. 96-17-3 1 1 1 Butanal, 2-methyl- {2-methylbutyraldehyde} H3C-CH2-CH(CH3)-CH=O III-12
1305. 590-86-3 1 1 1 Butanal, 3-methyl-
{3-methylbutyraldehyde; isovaleraldehyde}
(H3C)2=CH-CH2-CH=O III-12
1306. 7729-27-3 0 1 0 Butanal, 4-(methylamino)- H3C-NH-(CH2)3-CH=O III-12
1307. 0 1 0 Butanal, 2-methyl-4-phenyl- C5H6-(CH2)2-CH(CH3)-CH=O III-12
1308. 4417-81-6 1 0 0 Butanal, 2-oxo- {ethylglyoxal} H3C-CH2-CO-CH=O III-12, III-13
1309. 1758-51-6 0 1 0 Butanal, 2,3,4-trihydroxy-, (R*,R*)- {erythrose} HOCH2-(CHOH)2-CH=O II.A-5, III-12
1310. 541-35-5 1 0 0 Butanamide H3C-(CH2)2-CO-NH2 XIII-1
1311. 66309-91-9 1 0 0 Butanamide, 2,3-dimethyl- (H3C)2=CH-CH(CH3)-CO-NH2 XIII-1
1312. 1113-57-1 1 0 0 Butanamide, 2-methyl- H3C-CH2-CH(CH3)-CO-NH2 XIII-1
1313. 61892-66-8 1 0 0 Butanamide, 3-cyano-3-methyl- (H3C)2=C(CN)-CH2-CO-NH2 XIII-1
1314. 541-46-8 1 0 0 Butanamide, 3-methyl- (H3C)2=CH-CH2-CO-NH2 XIII-1
1315. 53897-27-1 1 0 0 Butanamide, 4-cyano- NC-(CH2)3-CO-NH2 XI-2, XIII-1
1316. 109-73-9 1 1 1 1-Butanamine H3C-(CH2)3-NH2 XII-2
1317. 71277-84-4 1 0 0 1-Butanamine, methyl- XII-2
1318. 96-15-1 1 0 0 1-Butanamine, 2-methyl- H3C-CH2-CH(CH3)-CH2-NH2 XII-2
1319. 107-85-7 1 1 1 1-Butanamine, 3-methyl- (H3C)2=CH-(CH2)2-NH2 XII-2
1320. 78579-58-5 1 1 1 1-Butanamine, 3-methyl-N-propyl- (H3C)2=CH-(CH2)2-NH-(CH2)2-CH3 XII-2
1321. 111-92-2 0 1 0 1-Butanamine, N-butyl- [H3C- (CH2)3]2=NH XII-2
1322. 924-16-3 1 0 0 1-Butanamine, N-butyl-N-nitroso- {NDBA} [H3C- (CH2)3]2=N-NO XII-2, XV-8
1323. 110-68-9 1 1 1 1-Butanamine, N-methyl- H3C-(CH2)3-NH-CH3 XII-2
1324. 7068-83-9 1 0 0 1-Butanamine, N-methyl-N-nitroso- H3C-(CH2)3-N(NO)-CH3 XII-2, XV-8
1325. 1 0 0 1-Butanamine, N-(1-methylethyl)- H3C-(CH2)3-NH-CH=(CH3)2 XII-2
1326. 56375-33-8 1 0 0 1-Butanamine, N-nitroso- H3C-(CH2)3-NH-NO XII-2, XV-8
1327. 20810-06-4 1 0 0 1-Butanamine, N-(2-methylpropyl)- H3C-(CH2)3-NH-CH2-CH=(CH3)2 XII-2
1328. 4104-44-3 0 1 0 1-Butanamine, N,3-dimethyl- (H3C)2=CH-(CH2)2-NH-CH3 XII-2
1329. 13952-84-6 1 1 1 2-Butanamine H3C-CH2-CH(NH2)-CH3 XII-2
1330. 1 0 0 2-Butanamine, N-methyl- H3C-CH2-CH(NH-CH3)-CH3 XII-2
1331. 626-23-3 0 1 0 2-Butanamine, N-(1-methylpropyl)- XII-2
1332. 106-97-8 1 0 0 Butane H3C-(CH2)2-CH3 1.A-10
1333. 75-83-2 1 0 0 Butane, 2,2-dimethyl- (H3C)3≡C-CH2-CH3 1.A-10
1334. 1 0 0 Butane, methyl- C4H9-CH3 1.A-10
1335. 78-78-4 1 1 1 Butane, 2-methyl- (H3C)2=CH-CH2-CH3 1.A-10
1336. 628-29-5 1 0 0 Butane, 1-(methylthio)- {butyl methyl sulfide} H3C-S-(CH2)3-CH3 XVIII.A-1
1337. 627-05-4 1 0 0 Butane, 1-nitro- H3C-(CH2)2-CH2-NO2 XVI-1
1338. 600-24-8 1 0 0 Butane, 2-nitro- H3C-CH2-CH(NO2)-CH3 XVI-1
1339. 1613-46-3 1 0 0 Butane, 1-(propylthio)- H3C-(CH2)2-S-(CH2)3-CH3 XVIII.A-1
1340. 544-40-1 1 0 0 Butane, 1,1'-thiobis- {dibutyl sulfide} H3C-(CH2)3-S-(CH2)3-CH3 XVIII.A-1
1341. 638-37-9 1 0 0 Butanedial {succinaldehyde} O=CH-(CH2)2-CH=O III-12
1342. 110-14-5 1 0 0 Butanediamide {succinamide} H2N-CO-(CH2)2-CO-NH2 XIII-1
1343. 16748-73-5 0 1 0 Butanediamide, 2-amino-, (S)- {asparagine amide} H2N-CO-CH2-CH(NH2)-CO-NH2XII-2, XIII-1
1344. 110-60-1 0 1 0 1,4-Butanediamine {putrescine} H2N-(CH2)4-NH2 XII-2
54
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1345. 124-20-9 0 1 0 1,4-Butanediamine, N-(3-aminopropyl)-
{spermidine}
H2N-(CH2)4-NH-(CH2)3-NH2 XII-2
1346. 71-44-3 0 1 0 1,4-Butanediamine, N,N'-bis(3-aminopropyl)- {spermine}
H2N-(CH2)3-NH-(CH2)4-NH-(CH2)3-NH2 XII-2
1347. 15657-58-6 0 1 0 1,4-Butanediamine, 2-methyl- H2N-(CH2)2-CH(CH3)-CH2-NH2 XII-2
1348. 14475-60-6 0 1 0 1,4-Butanediamine, N-methyl- H2N-(CH2)4-NH-CH3 XII-2
1349. 0 1 0 1,4-Butanediamine, 3-phenylpropenoyl- {cinnamoylputrescine}
V-3, XII-2
1350. 110-61-2 1 0 0 Butanedinitrile {succinonitrile} NC-(CH2)2-CN XI-2
1351. 16411-13-5 0 1 0 Butanedinitrile, 2,3-dimethyl- NC-CH(CH3)-CH(CH3)-CN XI-2
1352. 1 1 1 Butanedioate, hydroxy- {malate} II.A-5, XX-6
1353. 110-15-6 1 1 1 Butanedioic acid {succinic acid} HOOC-(CH2)2-COOH IV.A-3
1354. 121-75-5 1 1 1 Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester {Malathion®}
(H3CO)2=P=S
│
S
│
HC-COO-C2H5
│
H2C-COO-C2H5
V-3, XVIII.A-1,
XXI-3
1355. 106-65-0 1 1 1 Butanedioic acid, dimethyl ester
{dimethyl succinate}
H3C-OOC-(CH2)2-COO-CH3 V-3
1356. 6915-15-7 1 1 1 Butanedioic acid, hydroxy- {malic acid} HOOC-CHOH-CH2-COOH II.A-5, IV.A-3
1357. 1 1 1 Butanedioic acid, hydroxy-, labeled with 14
C {malic acid-
14C}
XXV-29
1358. 1587-15-1 1 0 0 Butanedioic acid, hydroxy-, dimethyl ester
{dimethyl malate; malic acid dimethyl ester}
H3C-OOC-CHOH-CH2-COO-CH3
II.A-5, V-3
1359. 585-09-1 0 1 0 Butanedioic acid, hydroxy-, dipotassium salt KOOC-CHOH-CH2-COOK II.A-5, XX-6
1360. 71608-04-3 1 0 0 Butanedioic acid, (hydroxymethylene)- II.A-5, IV.A-3
1361. 498-21-5 1 0 0 Butanedioic acid, methyl- HOOC-CH(CH3)-CH2-COOH IV.A-3
1362. 636-60-2 1 0 0 Butanedioic acid, methyl-, (±)- IV.A-3
1363. 97-65-4 1 1 1 Butanedioic acid, methylene- {itaconic acid} HOOC-C(=CH2)-CH2-COOH IV.A-3
1364. 2338-45-6 0 1 0 Butanedioic acid, (1-methylethyl)- IV.A-3
1365. 3878-55-5 1 0 0 Butanedioic acid, monomethyl ester HOOC-(CH2)2-COO-CH3 IV.A-3, V-3
1366. 328-42-7 0 1 0 Butanedioic acid, oxo- {oxalacetic acid} HOOC-CO-CH2-COOH IV.A-3
1367. 3237-44-3 0 1 0 Butanedioic acid, 2-hydroxy-2-(1-methylethyl)- II.A-5, IV.A-3
1368. 18734-79-7 0 1 0 Butanedioic acid, 2-methyl-3-phenyl- IV.A-3
1369. 35392-77-9 0 1 0 Butanedioic acid, 2,3-diethyl-, (R*,R*)-(±)-
{succinic acid, 2,3-diethyl-}
HOOC-CH(C2H5)-CH(C2H5)-COOH
IV.A-3
1370. 526-83-0 1 1 1 Butanedioic acid, 2,3-dihydroxy- {tartaric acid} HOOC-CHOH-CHOH-COOH
II.A-5, IV.A-3
1371. 147-71-7 0 1 0 Butanedioic acid, 2,3-dihydroxy- {d-tartaric acid}
II.A-5, IV.A-3
1372. 87-69-4 0 1 0 Butanedioic acid, 2,3-dihydroxy- {l-tartaric acid}
II.A-5, IV.A-3
55
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1373. 133-37-9 0 1 0 Butanedioic acid, 2,3-dihydroxy- {dl-tartaric acid}
II.A-5, IV.A-3
1374. 147-73-9 0 1 0 Butanedioic acid, 2,3-dihydroxy- {meso-tartaric acid}
II.A-5, IV.A-3
1375. 921-53-9 0 1 0 Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, dipotassium salt
II.A-5, XX-6
1376. 13545-04-5 0 1 0 Butanedioic acid, 2,3-dimethyl-
{succinic acid, 2,3-dimethyl-}
HOOC-CH(CH3)-CH(CH3)-COOH IV.A-3
1377. 52642-07-6 1 0 0 Butanediol, monoacetate II.A-5, V-3
1378. 107-88-0 1 1 1 1,3-Butanediol {1,3-butylene glycol} H3C-CHOH-CH2-CH2OH II.A-5
1379. 110-63-4 0 1 0 1,4-Butanediol {tetramethylene glycol} HOCH2-(CH2) 2-CH2OH II.A-5
1380. 513-85-9 1 1 1 2,3-Butanediol H3C-CHOH-CHOH-CH3 II.A-5
1381. 5341-95-7 1 0 0 2,3-Butanediol, (R*,S*)- II.A-5
1382. 431-03-8
29350-67-2
1 1 1 2,3-Butanedione {diacetyl; biacetyl} H3C-CO-CO-CH3 III-13
1383. 109-74-0 1 0 0 Butanenitrile H3C-(CH2) 2-CN XI-2
1384. 13989-82-7 1 0 0 Butanenitrile, 4-(dimethylamino)- (H3C)2=N-(CH2)3-CN XI-2, XII-2
1385. 4476-02-2 1 0 0 Butanenitrile, 2-hydroxy- H3C-CH2-CHOH-CN II.A-5, XI-2
1386. 15344-34-0 1 0 0 Butanenitrile, 2-hydroxy-3-methyl- (H3C)2=CH-CHOH-CN II.A-5, XI-2
1387. 18937-17-9 1 0 0 Butanenitrile, 2-methyl- H3C-CH2-CH(CH3)-CN XI-2
1388. 625-28-5 1 1 1 Butanenitrile, 3-methyl- (H3C)2=CH-CH2-CN XI-2
1389. 149-32-6 1 1 1 1,2,3,4-Butanetetrol, (R*,S*)- {erythritol} HOCH2-(CHOH) 2-CH2OH II.A-5
1390. 68510-02-1 0 1 0 1,2,3,4-Butanetetrol, 1-[5-(2,3,4-trihydroxybutyl)pyrazinyl]-
{2,5-deoxyfructosazine}
N
N
R
R
OH R = HOCH2-(CHOH)2-
II.A-5, XVII.B-2
1391. 68510-03-2 0 1 0 1,2,3,4-Butanetetrol, 1-[6-(2,3,4-trihydroxybutyl)pyrazinyl]-
{2,6-deoxyfructosazine}
N
N
R
OH
R
R = HOCH2-(CHOH)2-
II.A-5, XVII.B-2
1392. 109-79-5 1 0 0 1-Butanethiol {butyl mercaptan} H3C-(CH2)3-SH XVIII.A-1
1393. 541-31-1 1 0 0 1-Butanethiol, 3-methyl- (H3C)2=CH-(CH2)2-SH XVIII.A-1
1394. 513-53-1 1 0 0 2-Butanethiol H3C-CH2-CH(SH)-CH3 XVIII.A-1
1395. 4435-50-1 1 0 0 1,2,3-Butanetriol {1-methylglycerol} H3C-CHOH-CHOH-CH2OH II.A-5
1396. 3068-00-6 0 1 0 1,2,4-Butanetriol H2COH-CHOH-CH2-CH2OH II.A-5
1397. 1 1 1 Butanimine H3C-(CH2)2-CH=NH XII-2
1398. 107-92-6 1 1 1 Butanoic acid {butyric acid} H3C-(CH2)2-COOH IV.A-3
1399. 109-21-7 0 1 0 Butanoic acid, butyl ester H3C-(CH2) 2-COO-(CH2)3-CH3 V-3
1400. 10094-34-5 0 1 0 Butanoic acid, 1,1-dimethyl-2-phenylethyl ester V-3
1401. 106-29-6 0 1 0 Butanoic acid, 3,7-dimethyl-2,6-octadien-1-yl ester {geranyl butyrate}
V-3
1402. 105-54-4 1 1 1 Butanoic acid, ethyl ester {ethyl butyrate} H3C-(CH2)2-COO-C2H5 V-3
1403. 26912-31-2 0 1 0 Butanoic acid, hexenyl ester H3C-(CH2)2-COO-(CH2)4-n-CH=CH-(CH2)n-H
V-3
56
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1404. 623-42-7 0 1 0 Butanoic acid, methyl ester H3C-(CH2)2-COO-CH3 V-3
1405. 5398-90-2 0 1 0 Butanoic acid, 2-methylpropyl ester V-3
1406. 540-18-1 0 1 0 Butanoic acid, pentyl ester H3C-(CH2)2-COO-(CH2)4-CH3 V-3
1407. 103-37-7 1 1 1 Butanoic acid, phenylmethyl ester {benzyl butyrate}
H3C-(CH2) 2-COO-CH2-C6H5 V-3
1408. 80-60-4 1 1 1 Butanoic acid, 2-amino- H3C-CH2-CH(NH2)-COOH IV.A-3, XII-2
1409. 7004-04-8 1 1 1 Butanoic acid, 2-amino-3-hydroxy- H3C-CHOH-CH(NH2)-COOH
II.A-5, IV.A-3, XII-2
1410. 454-41-1 0 1 0 Butanoic acid, 2-amino-4-(methylsulfinyl)- IV.A-3, XII-2, XVIII.A-1
1411. 1118-85-0
3226-65-1
0 1 0 Butanoic acid, 2-amino-4-(methylsulfonyl)-
{methionine sulfone; methionine S-oxide}
H3C-SO-(CH2)2-CH(NH2)-COOH
IV.A-3, XII-2, XVIII.A-1
1412. 2338-03-6 0 1 0 Butanoic acid, 2-amino-4-oxo-, (S)- IV.A-3, XII-2
1413. 14287-61-7 0 1 0 Butanoic acid, 2,3-dimethyl-
(H3C)2=CH-CH(CH3)-COOH
IV.A-3
1414. 141-16-2 0 1 0 Butanoic acid, 3,7-dimethyl-6-octenyl ester
{citronellyl butyrate}
V-3
1415. 88-09-5 1 1 1 Butanoic acid, 2-ethyl- {diethylacetic acid} (H3C-CH2)2=CH-COOH IV.A-3
1416. 565-70-8 1 1 1 Butanoic acid, 2-hydroxy- H3C-CH2-CHOH-COOH II.A-5, IV.A-3
1417. 3739-30-8 0 1 0 Butanoic acid, 2-hydroxy-2-methyl- H3C-CH2-C(CH3)(OH)-COOH
II.A-5, IV.A-3
1418. 4026-18-0 1 1 1 Butanoic acid, 2-hydroxy-3-methyl- H3C-CH(CH3)-CHOH-COOH
II.A-5, IV.A-3
1419. 116-53-0 1 1 1 Butanoic acid, 2-methyl- {2-methylbutyric acid} H3C-CH2-CH(CH3)-COOH IV.A-3
1420. 7452-79-1 0 1 0 Butanoic acid, 2-methyl-, ethyl ester H3C-CH2-CH(CH3)-COO-CH2-CH3 V-3
1421. 10032-15-2 0 1 0 Butanoic acid, 2-methyl-, hexyl ester H3C-CH2-CH(CH3)-COO-(CH2)5-CH3 V-3
1422. 868-57-5 0 1 0 Butanoic acid, 2-methyl-, methyl ester H3C-CH2-CH(CH3)-COO-CH3 V-3
1423. 0 1 0 Butanoic acid, 2-methyl-, 2-methylbutyl ester V-3
1424. 0 1 0 Butanoic acid, 2-methyl-, 3-methylbutyl ester V-3
1425. 0 1 0 Butanoic acid, 2-methyl-, 2-methylpropyl ester V-3
1426. 0 1 0 Butanoic acid, 2-methyl-, 2-phenylethyl ester V-3
1427. 600-18-0 1 1 1 Butanoic acid, 2-oxo- H3C-CH2-CO-COOH III-13, IV.A-3
1428. 78986-08-0 0 1 0 Butanoic acid, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-2-cyclohexen-1-yl ester
III-13, V-3
1429. 0 1 0 Butanoic acid, 3-amino- H3C-CH(NH2)-CH2-COOH IV.A-3, XII-2
1430. 1070-83-3 0 1 0 Butanoic acid, 3,3-dimethyl- (H3C)3≡C-CH2-COOH IV.A-3
1431. 300-85-6 1 0 0 Butanoic acid, 3-hydroxy- H3C-CHOH-CH2-COOH II.A-5, IV.A-3
1432. 625-08-1 0 1 0 Butanoic acid, 3-hydroxy-3-methyl- H3C-C(CH3)(OH)-CH2-COOH
II.A-5, IV.A-3
1433. 503-74-2 1 1 1 Butanoic acid, 3-methyl- {isovaleric acid} (H3C)2=CH-CH2-COOH IV.A-3
1434. 109-19-3 0 1 0 Butanoic acid, 3-methyl-, butyl ester; V-3
1435. 1009-20-6 0 1 0 Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadieny-1-yl ester
V-3
57
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1436. 76-50-6 0 1 0 Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo- {bornyl isovalerate}
V-3
1437. 0 1 0 Butanoic acid, 3-methyl-, 2-methylbutyl ester V-3
1438. 78-35-3 0 1 0 Butanoic acid, 3-methyl-, 3,7-dimethyl-1,6-octadien-6-yl ester {linalyl isobutyrate}
V-3
1439. 16409-46-4 0 1 0 Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)-cyclohexanyl ester {menthyl isovalerate}
V-3
1440. 55066-56-3 1 1 1 Butanoic acid, 3-methyl-, 4-methylphenyl ester V-3
1441. 0 1 0 Butanoic acid, 3-methyl-, 2-methylpropyl ester V-3
1442. 140-26-1 1 1 1 Butanoic acid, 3-methyl-, 2-phenylethyl ester {phenethyl isovalerate}
V-3
1443. 108-64-5 1 1 1 Butanoic acid, 3-methyl-, ethyl ester {ethyl isovalerate}
(H3C)2=CH-CH2-COO-C2H5 V-3
1444. 556-24-1 0 1 0 Butanoic acid, 3-methyl-, methyl ester {methyl isovalerate}
(H3C)2=CH-CH2-COO-CH3 V-3
1445. 659-70-1 1 1 1 Butanoic acid, 3-methyl-, 3-methylbutyl ester {isoamyl isovalerate}
V-3
1446. 103-38-8 0 1 0 Butanoic acid, 3-methyl-, phenylmethyl ester {benzyl isovalerate}
V-3
1447. 140-27-2 1 1 1 Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester V-3
1448. 106-27-4 0 1 0 Butanoic acid, 3-methylbutyl ester V-3
1449. 541-50-4 0 1 0 Butanoic acid, 3-oxo- {acetoacetic acid} H3C-CO-CH2-COOH III-13, IV.A-3
1450. 56-12-2 1 1 1 Butanoic acid, 4-amino- H2N-(CH2)3-COOH IV.A-3, XII-2
1451. 61445-55-4 133201-39-5
1 1 1 Butanoic acid, 4-(methylnitrosoamino)- =
Butanoic acid, 4-[(nitrosomethyl)amino]- {NMBA} H3C-N(NO)-(CH2)3-COOH IV.A-3, XV-8
1452. 1 0 0 Butanoic acid, 4-(methylnitrosoamino)-, methyl ester H3C-N(NO)-(CH2)3-COOCH3 V-3, XV-8
1453. 583-92-6 0 1 0 Butanoic acid, 4-(methylthio)-2-oxo- H3C-S-(CH2)2-CO-COOH
III-13, IV.A-3, XVIII.A-1
1454. 54344-76-2 0 1 0 Butanoic acid, 4-(2,6,6-trimethylcyclohexen-1-yl)- IV.A-3
1455. 462-10-2 0 1 0 Butanoic acid, 4,4'-dithiobis[2-amino- {homocystine}
[S-(CH2)2-CH(NH2)-COOH]2
IV.A-3, XII-2, XVIII-1
1456. 71-36-3 1 1 1 1-Butanol {n-butyl alcohol} H3C-(CH2)2-CH2OH II.A-5
1457. 20281-85-0 0 1 0 1-Butanol, 2,3-dimethyl- II.A-5
1458. 0 1 0 1-Butanol, 2-ethoxy- II.A-5, X-2
1459. 91599-03-0 0 1 0 1-Butanol, 4-[(7-β-D-glucopyranosyl-7H-purin-6-yl)amino]-2-methyl-
II.A-5, X-2
1460. 137-32-6 1 1 1 1-Butanol, 2-methyl- II.A-5
1461. 23599-75-9 1 1 1 1-Butanol, 2-methyl-4-(1H-purin-6-ylamino)- II.A-5
1462. 123-51-3 1 1 1 1-Butanol, 3-methyl- {isoamyl alcohol} II.A-5
1463. 94-46-2 1 1 1 1-Butanol, 3-methyl-, benzoate {isoamyl benzoate} V-3
1464. 0 1 0 1-Butanol, 4-(methylnitrosoamino)-1-(3-pyridinyl)- {NNAL}
II.A-5, XII-2, XV-8, XVII.B-2
1465. 78-92-2 1 1 1 2-Butanol {sec-butyl alcohol} H3C-CH2-CHOH-CH3 II.A-5
1466. 6291-17-4 1 0 0 2-Butanol, 3-amino-2-methyl- II.A-5, XII-2
58
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1467. 155728-85-1 0 1 0 2-Butanol, 1-(4-bromophenoxy)-3-[(phenylmethyl)amino]-, (R*,R*)-
II.A-5, XII-2, XVIII.B-3
1468. 75-85-4 1 0 0 2-Butanol, 2-methyl- II.A-5
1469. 0 1 0 2-Butanol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- II.A-5
1470. 35734-62-4 1 0 0 1-Butanone, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
II.A-5, III-13
1471. 51769-21-2 0 1 0 1-Butanone, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (±)-
II.A-5, III-13
1472. 495-40-9 1 0 0 1-Butanone, 1-phenyl- H3C-(CH2)2-CO-C6H5 III-13
1473. 61892-81-7 1 0 0 1-Butanone, 1-pyrazinyl- III-13, XVII.B-2
1474. 1701-70-8 1 1 1 1-Butanone, 1-(3-pyridinyl)- {propyl pyridyl ketone}
III-13, XVII.B-2
1475. 28384-26-1 0 1 0 1-Butanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- III-13
1476. 1 0 0 1-Butanone, 1-(methyl-2-pyridinyl)- III-13, XVII.B-2
1477. 1 0 0 1-Butanone, 1-(2-pyridinyl)- III-13, XVII.B-2
1478. 1 0 0 1-Butanone, 1-(3-methyl-2-pyridinyl)- III-13, XVII.B-2
1479. 1 0 0 1-Butanone, 1-(4-methyl-2-pyridinyl)- III-13, XVII.B-2
1480. 78210-70-5 1 0 0 1-Butanone, 2-methyl-1-(3-pyridinyl)- III-13, XVII.B-2
1481. 68697-66-5 0 1 0 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
III-13, XVIII.A-1
1482. 0 1 0 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethylcyclohexenyl)-
III-13, XVIII.A-1
1483. 71278-11-0 1 1 1 1-Butanone, 4-amino-1-(3-pyridinyl)- {poikiline} III-13, XVII.B-2
1484. 59578-62-0 0 1 0 1-Butanone, 4-hydroxy-1-(3-pyridinyl)- II.A-5, III-13, XVII.B-2
1485. 0 1 0 1-Butanone, 4-(methylamino)-1-(2.6-dihydroxy-3-pyridinyl)-
II.A-5, III-13, XVII.B-2
1486. 0 1 0 1-Butanone, 4-(methylamino)-1-(6-hydroxy-pyridinyl)-
II.A-5, III-13, XVII.B-2
1487. 2055-23-4 0 1 0 1-Butanone, 4-(methylamino)-1-(3-pyridinyl)- III-13, XII-2, XVII.B-2
1488. 64091-91-4
121268-99-3 26165-82-0
1 1 1 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)- {NNK}
{1-Butanone, 4-[(nitrosomethyl)amino]-1-(3-pyridinyl)-}
III-13, XII-2, XV-8, XVII.B-2
1489. 76014-82-9 0 1 0 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, N-oxide
III-13, XII-2, XV-8, XVII.B-2
1490. 78-93-3 1 1 1 2-Butanone {methyl ethyl ketone} H3C-CO-CH2-CH3 III-13
1491. 1575-57-1 1 1 1 2-Butanone, 1-(acetyloxy)- H3C-CH2-CO-CH2-OOC-CH3 III-13, V-3
1492. 43121-43-3 0 1 0 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl) {Triadimefon®}
X-2, XVII.A-4, XXI-3
1493. 5077-67-8 1 1 1 2-Butanone, 1-hydroxy- H3C-CH2-CO-CH2OH II.A-5, III-13
59
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1494. 1007-32-5 1 0 0 2-Butanone, 1-phenyl- C6H5-CH2-CO-CH2-CH3 III-13
1495. 75-97-8 1 0 0 2-Butanone, 3,3-dimethyl- III-13
1496. 57011-15-1 1 0 0 2-Butanone, 3,4-dihydroxy- H3C-CO-CHOH-CH2OH II.A-5, III-13
1497. 513-86-0 1 1 1 2-Butanone, 3-hydroxy- {acetoin} H3C-CO-CHOH-CH3 II.A-5, III-13
1498. 563-80-4 1 1 1 2-Butanone, 3-methyl- H3C-CO-CH=(CH3)2 III-13
1499. 53872-97-2 1 0 0 2-Butanone, 3-methyl-1-(3-pyridinyl)- III-13, XVII.B-2
1500. 10150-87-5 1 0 0 2-Butanone, 4-(acetyloxy)- H3C-CO-CH2-CH2-OOC-CH3 III-13, V-3
1501. 10266-75-8 0 1 0 2-Butanone, 4-(decahydro-5,5,8a-trimethyl-2-
methylene-1-naphthalenyl)-, [1S-(1α,4aβ,8aα)]-
H3C
H3C CH3
H3C O
CH2
III-13
1502. 590-90-9 1 1 1 2-Butanone, 4-hydroxy- H3C-CO-CH2-CH2OH II.A-5, III-13
1503. 1823-90-1 1 0 0 2-Butanone, 4-hydroxy-3,3-dimethyl- H3C-CO-C(CH3)2-CH2OH II.A-5, III-13
1504. 104-20-1 0 1 0 2-Butanone, 4-(4-methoxyphenyl)- III-13, X-2
1505. 34047-39-7 1 1 1 2-Butanone, 4-(methylthio)- III-13, XVIII.A-1
1506. 2550-26-7 1 0 0 2-Butanone, 4-phenyl- H3C-CO-(CH2)2-C6H5 III-13
1507. 50767-77-6 0 1 0 2-Butanone, 4-(2-ethenyl-2,6,6-trimethylcyclohexyl)- III-13
1508. 60761-23-1 0 1 0 2-Butanone, 4-(2,2,6-trimethylcyclohexyl)-, cis- {tetrahydroionone}
OH3C CH3
CH3
CH3
III-13
1509. 58720-40-4 0 1 0 2-Butanone, 4-(2,3,6-trimethylphenyl)- III-13
1510. 20483-36-7 0 1 0 2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
III-13
1511. 14506-65-1 0 1 0 2-Butanone, 4-(3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)-, (4aS-trans)-
O
H3C
H3C CH3
CH3
CH3
III-13
1512. 158815-72-6 0 1 0 2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3-(1-methylethyl)-1,2-dioxin-3-yl]-, (E)-
II.A-3, III-13, X-2
1513. 158815-73-7 0 1 0 2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3-(1-methylethyl)-1,2-dioxin-3-yl]-, (Z)-
II.A-3, III-13, X-2
1514. 160115-51-5 0 1 0 2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3-(1-methylethyl)-1,2-dioxin-3-yl]-, (E)- (+)-
II.A-3, III-13, X-2
1515. 160115-52-6 0 1 0 2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3-(1-methylethyl)-1,2-dioxin-3-yl]-, (Z)- (-)-
II.A-3, III-13, X-2
1516. 0 1 0 2-Butanone, 4-[5,6-dihydro-3-methyl-6-(1-methylethyl)-pyran-2-yl]
III-13, IX.A-22
1517. 5471-51-2 1 1 1 2-Butanone, 4-(4-hydroxyphenyl)- {4-(p-hydroxyphenyl)-2-butanone}
III-13, X-2
1518. 13679-56-6 1 1 1 2-Butanone, 4-(5-methyl-2-furanyl)- III-13, X-2
1519. 0 1 0 2-Butanone, 4-(2-methyl-5-(1-methylethyl)-2-furanyl)-
III-13, X-2
60
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1520. 0 1 0 2-Butanone, 4-(2-methyl-6-(1-methylethyl)-2-tetrahydropyranyl)-
III-13, X-2
1521. 0 1 0 2-Butanone, 4-(4,5-dihydro-3-methylene-6-dimethylmethylene-2-pyranyl)-
CH2
CH3C
CH3
CH2CH2-CO-CHO
III-13, X-2
1522. 4170-30-3 1 1 1 2-Butenal {crotonaldehyde} H3C-CH=CH-CH=O III-12
1523. 1115-11-3 1 1 1 2-Butenal, 2-methyl- H3C-CH=C(CH3)-CH=O III-12
1524. 107-86-8 1 0 0 2-Butenal, 3-methyl- {senecialdehyde} H3C-C(CH3)=CH-CH=O
1525. 83841-47-8 0 1 0 2-Butenal, 4-(decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)-2-methyl-, [1R-
[1α(E),2β,4aβ,8aα]]-
CH=OH3C
H3C
H3C CH3
CH3
OH
II.A-5, III-12
1526. 7319-38-2 1 0 0 3-Butenal H2C=CH-CH2-CH=O III-12
1527. 625-37-6
23350-58-5
1 0 0 2-Butenamide, (E)- {crotonamide} H3C-CH=CH-CO-NH2 XIII-1
1528. 1 0 0 2-Butenamide, (Z)- XIII-1
1529. 72693-06-2 1 0 0 2-Butenamide, N,2-dimethyl- XIII-1
1530. 32793-37-6 1 0 0 2-Butenamide, 2-methyl- XIII-1
1531. 28446-58-4 1 0 0 3-Butenamide H2C=CH-CH2-CO-NH2 XIII-1
1532. 18938-03-9 1 0 0 3-Butenamide, 3-methyl- XIII-1
1533. 692-31-9 1 0 0 2-Buten-1-amine, N,N-dimethyl- XII-2
1534. 2524-49-4 1 0 0 3-Buten-1-amine H2C=CH-CH2-CH2-NH2 XII-2
1535. 20173-36-8 1 0 0 3-Buten-1-amine, N,N-dimethyl-4-(3-pyridinyl)- XII-2, XVII.B-2
1536. 538-79-4 1 1 1 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- {metanicotine}
N
NH-CH3
XII-2, XVII.B-2
1537. 1 0 0 Butene I.B-1
1538. 1 0 0 Butene, methyl- I.B-1
1539. 106-98-9 1 0 0 1-Butene H2C=CH-CH2-CH3 I.B-1
1540. 563-78-0 1 1 1 1-Butene, 2,3-dimethyl- H2C=C(CH3)-CH=(CH3)2 I.B-1
1541. 558-37-2 1 0 0 1-Butene, 3,3-dimethyl- H2C=CH-C≡(CH3)3 I.B-1
1542. 563-46-2 1 0 0 1-Butene, 2-methyl- H2C=C(CH3)-CH2-CH3 I.B-1
1543. 563-45-1 1 0 0 1-Butene, 3-methyl- H2C=CH-CH=(CH3)2 I.B-1
1544. 107-01-7 1 0 0 2-Butene H3C-CH=CH-CH3 I.B-1
1545. 624-64-6 1 0 0 2-Butene, (E)
C C
H3C
H CH3
H
I.B-1
1546. 590-18-1 1 0 0 2-Butene, (Z)-
C C
CH3H3C
H H
I.B-1
61
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1547. 563-79-1 1 0 0 2-Butene, 2,3-dimethyl- (H3C)2=C=C=(CH3)2 I.B-1
1548. 513-35-9 1 0 0 2-Butene, 2-methyl- (H3C)2=C=CH-CH3 I.B-1
1549. 6915-18-0 0 1 0 2-Butenedioic acid HOOC-CH=CH-COOH IV.A-3
1550. 110-17-8 1 1 1 2-Butenedioic acid (E)- {fumaric acid}
C C
H
H
COOH
HOOC
IV.A-3
1551. 110-16-7 1 1 1 2-Butenedioic acid (Z)- {maleic acid} C C
H
HOOC COOH
H
IV.A-3
1552. 623-91-6 0 1 0 2-Butenedioic acid (E)-, diethyl ester {diethyl fumarate}
V-3
1553. 141-05-9 1 0 0 2-Butenedioic acid (Z)-, diethyl ester {diethyl maleate}
V-3
1554. 21788-49-8 0 1 0 2-Butenedioic acid, 2,3-dimethyl-, (E)-
C C
HOOC
COOHH3C
CH3
IV.A-3
1555. 488-21-1 0 1 0 2-Butenedioic acid, 2,3-dimethyl-, (Z)-
C C
HOOC COOH
CH3H3C
IV.A-3
1556. 624-48-6 1 0 0 2-Butenedioic acid (Z)-, dimethyl ester V-3
1557. 28098-80-8 0 1 0 2-Butenedioic acid, 2-ethyl-3-methyl-, (E)-
C C
HOOC
COOHH3C
C2H5
IV.A-3
1558. 41654-09-5 0 1 0 2-Butenedioic acid, 2-ethyl-3-methyl-, (Z)-
C C
HOOC
H3C
COOH
C2H5
IV.A-3
1559. 498-24-8 1 0 0 2-Butenedioic acid, 2-methyl-, (E)- {mesaconic acid} C C
HOOC
COOHH3C
H
IV.A-3
1560. 498-23-7 1 1 1 2-Butenedioic acid, 2-methyl-, (Z)- {citraconic acid} C C
HOOC
H3C
COOH
H
IV.A-3
1561. 497-06-3 1 0 0 3-Butene-1,2-diol HOCH2-CHOH-CH=CH2 II.A-5
1562. 4786-20-3 1 0 0 2-Butenenitrile {crotononitrile} H3C-CH=CH-CN XI-2
1563. 1 0 0 2-Butenenitrile, 3-methyl- XI-2
1564. 109-75-1 1 0 0 3-Butenenitrile {allyl cyanide} H2C=CH-CH2-CN XI-2
1565. 1 0 0 3-Butenenitrile, 3-methyl- XI-2
1566. 3724-65-0 1 1 1 2-Butenoic acid {crotonic acid} H3C-CH=CH-COOH IV.A-3
1567. 107-93-7 1 1 1 2-Butenoic acid, (E)- {trans-crotonic acid}
C C
H3C
COOH
H
H
IV.A-3
1568. 503-64-0 1 0 0 2-Butenoic acid, (Z)- {cis-crotonic acid} C C
COOH
HH
H3C
IV.A-3
62
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1569. 10544-63-5 0 1 0 2-Butenoic acid (E)-, ethyl ester {ethyl crotonate}
V-3
1570. 18707-60-3 0 1 0 2-Butenoic acid, methyl ester H3C-CH=CH-COO-CH3 V-3
1571. 13201-46-2 1 1 1 2-Butenoic acid, 2-methyl-, (Z)- {angelic acid} IV.A-3
1572. 80-59-1 1 1 1 2-Butenoic acid, 2-methyl-, (E)- {tiglic acid} IV.A-3
1573. 37526-88-8 0 1 0 2-Butenoic acid, 2-methyl-, phenylmethyl ester {benzyl tiglate}
V-3
1574. 39300-45-3 0 1 0 2-Butenoic acid, 2-(1-methylheptyl)-4,6-dinitrophenyl ester {Dinocap®}
V-3, XVI-1, XXI-3
1575. 7786-34-7 0 1 0 2-Butenoic acid, 3[(dimethoxyphosphinyl)oxy]-, methyl ester {Mevinphos®; Phosdrin®)} P
H3CO O
H3COO
CH3
COOCH3
V-3,
XXI-3
1576. 541-47-9 1 1 1 2-Butenoic acid, 3-methyl- IV.A-3
1577. 32040-41-8 0 1 0 2-Butenoic acid, 4-(formylamino)-4-oxo-, (Z)- O=CH-NH-CO-CH=CH-COOH
IV.A-3, XIII-1
1578. 625-38-7 1 0 0 3-Butenoic acid H2C=CH-CH2-COOH IV.A-3
1579. 1617-31-8 1 1 1 3-Butenoic acid, 3-methyl- IV.A-3
1580. 2243-53-0 1 1 1 3-Butenoic acid, 4-phenyl- {styrylacetic acid} IV.A-3
1581. 43000-45-9 1 1 1 1-Buten-1-ol, 3-methyl- II.A-5
1582. 4675-87-0 0 1 0 2-Buten-1-ol, 2-methyl- II.A-5
1583. 556-82-1 0 1 0 2-Buten-1-ol, 3-methyl- II.A-5
1584. 1637-39-4 0 1 0 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (E)- II.A-5, XII-2
1585. 0 1 0 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylaminoribosyl)-
II.A-5, XII-2
1586. 29736-33-2 0 1 0 2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-1H-purin-6-yl]amino]-, (E)-
II.A-5, XII-2, XVIII.A-1
1587. 72074-11-4 0 1 0 2-Buten-1-ol, 3-(dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2-yl)-, [2S-
[2α(E),3aα,5aβ,9aα,9bβ]]-
II.A-5, XII-2
1588. 87584-34-7 0 1 0 2-Buten-1-ol, 3-(dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2-yl)-, [2R-
[2α(E),3aβ,5aα,9aβ,9bα]]-
II.A-5, XII-2
1589. 627-27-0 1 0 0 3-Buten-1-ol H2C=CH-CH2-CH2OH II.A-5
1590. 115-18-4 1 0 0 3-Buten-2-ol, 2-methyl- H2C=CH-CHOH=(CH3)2 II.A-5
1591. 0 1 0 3-Buten-2-ol, 4-phenyl- C6H5-CH=CH-CHOH-CH3 II.A-5
1592. 13215-89-9 0 1 0 3-Buten-2-ol, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
OH
II.A-5
1593. 1 1 1 3-Buten-2-ol, 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- {3-hydroxy-β-ionol}
II.A-5
1594. 0 1 0 3-Buten-2-ol, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- {4-hydroxy-β-ionol}
II.A-5
1595. 27008-60-2
22029-76-1
0 1 0 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- {β-ionol}
OH
II.A-5
63
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1596. 472-78-6 0 1 0 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- {α-ionol}
OH
II.A-5
1597. 79925-80-7 0 1 0 3-Buten-2-ol, 4-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-
II.A-5
1598. 54345-38-9 0 1 0 2-Buten-1-one, 1-(2,3,6-trimethylphenyl)-, (E)- III-13
1599. 23726-93-4
23696-85-7
1 1 1 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)- {β-damascenone}
O
III-13
1600. 0 1 0 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- {β-damascenone isomer}
III-13
1601. 80111-68-8
23770-92-3
35044-68-9
1 1 1 2-Buten-1-one, 1-(2,6,6-trimethylcyclohexenyl)- {damascone}
III-13
1602. 23726-91-2 1 1 1 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
III-13
1603. 23726-92-3
85949-43-5
1 1 1 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)- {β-damascone}
O
III-13
1604. 102488-09-5 1 1 1 2-Buten-1-one, 1-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- {3-hydroxy-β-damascone}
III-13
1605. 80508-24-3 1 0 0 2-Buten-1-one, 1-(3-pyridinyl)- III-13, XVII.B-2
1606. 0 1 0 2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethycyclohexanyl)-
{4-hydroxydihydro-β-damascone} HO
O
III-13
1607. 56915-02-7 1 1 1 2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- {4-hydroxy-β-damascone}
HO
O
III-13
1608. 35734-61-3 1 1 1 2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
II.A-5, III-13
1609. 160550-79-8 0 1 0 2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, [R-(E)]-
II.A-5, III-13
1610. 87562-12-7 0 1 0 2-Buten-1-one, 1-[3-(formyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, (E)-
III-13, V-3
1611. 62512-25-8 0 1 0 2-Buten-1-one, 1-[4-(β-D-glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-
II.A-5, III-13, X-2
1612. 160550-77-6 0 1 0 2-Buten-1-one, 1-[4-(β-D-glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, [R-(E)]-
II.A-5, III-13, X-2
1613. 495-45-4 0 1 0 2-Buten-1-one, 1,3-diphenyl- III-13
1614. 78-94-4 1 1 1 3-Buten-2-one {methyl vinyl ketone} H2C=CH-CO-CH3 III-13
1615. 814-78-8 1 0 0 3-Buten-2-one, 3-methyl- H2C=C(CH3)-CO-CH3 III-13
1616. 125-51-5 0 1 0 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-
cyclohexen-1-yl)- {α-isomethylionone}
III-13
1617. 73892-47-4 0 1 0 3-Buten-2-one, 4-[3-(acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-,[R-(E)]-
III-13, V-3
64
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1618. 50281-40-8 0 1 0 3-Buten-2-one, 4-[4-(acetyloxy)-2,2,6-trimethyl-7-
oxabicyclo[4.1.0]hept-1-yl]-, [1R-[1α(E),4β,6α]]- H3C CH3
O
CH3
CH3
O
H3C-COO
III-13, V-3, X-2
1619. 50281-41-9 0 1 0 3-Buten-2-one, 4-[4-(acetyloxy)-2,2,6-trimethyl-7-
oxabicyclo[4.1.0]hept-1-yl]-, [1S-[1α(E),4α,6α]]-
III-13, V-3, X-2
1620. 42569-64-2 0 1 0 3-Buten-2-one, 4-(decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)-, [1R-
[1α(E),2β,4aβ,8aα]]- O
OH
CH3
H3C
H3C CH3
CH3
II.A-5, III-13
1621. 54656-80-3 0 1 0 3-Buten-2-one, 4-(decahydro-2-hydroxy-2,5,5,8a-
tetramethyl-1-naphthalenyl)-, [1α(E),2α,4aβ,8aα]-(±)-
II.A-5, III-13
1622. 623-15-4 1 1 1 3-Buten-2-one, 4-(2-furanyl)- III-13, X-2
1623. 14398-34-6 0 1 0 3-Buten-2-one, 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
II.A-5, III-13
1624. 61892-82-8 1 0 0 3-Buten-2-one, 4-(4-hydroxy-1-cyclohexen-1-yl)- II.A-5, III-13
1625. 50281-42-0 0 1 0 3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-
oxabicyclo[4.1.0]hept-1-yl)-, [1S-[1α(E),4α,6α]]-
HO
O
O
CH3H3C
CH3
CH3
II.A-5, III-13, X-2
1626. 61116-99-2 0 1 0 3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-
oxabicyclo[4.1.0]hept-1-yl)-, [1R-[1α(E),4β,6α]]-
HO
O
O
CH3H3C
CH3
CH3
II.A-5, III-13, X-2
1627. 72491-46-4 0 1 0 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- {4-hydroxy-β-ionone}
II.A-5, III-13
1628. 38963-41-6 1 0 0 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-2-
cyclohexen-1-yl)- {4-hydroxy-α-ionone}
II.A-5, III-13
1629. 23120-57-2 1 0 0 3-Buten-2-one, 4-(5-methyl-2-furanyl)- III-13, X-2
1630. 66434-99-9 0 1 0 3-Buten-2-one, 4-(5-methyl-2-furanyl)-, (E)- III-13, X-2
1631. 122-57-6 1 1 1 3-Buten-2-one, 4-phenyl- C6H5-CH=CH-CO-CH3 III-13
1632. 2433-57-0 1 0 0 3-Buten-2-one, 4-(1H-pyrrol-2-yl)-, (E)- III-13, XVII.A-4
1633. 79-69-6 0 1 0 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)- {α-irone}
III-13
1634. 23267-57-4 0 1 0 3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
O
OH3C CH3
CH3
CH3
III-13, X-2
1635. 56681-06-2 0 1 0 3-Buten-2-one, 4-(2,3,6-trimethylphenyl)- III-13
1636. 1203-08-3 1 1 1 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-
cyclohexadien-1-yl)- {dehydro-β-ionone}
III-13
1637. 14398-35-7 0 1 0 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-
III-13
65
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1638. 14901-07-6 1 1 1 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-
yl)- {β-ionone}
O
III-13
1639. 79-77-6 0 1 0 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)-
III-13
1640. 127-41-3
8013-90-9
1 1 1 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-
yl)-, (E)- {α-ionone}
O
III-13
1641. 689-97-4 1 0 0 1-Buten-3-yne H2C=CH-C≡CH I.B-1
1642. 1 0 0 Butoxyl radical OC4H9 XXVII-1
1643. 1 0 0 tert-Butoxyl radical XXVII-1
1644. 1119-19-3 1 0 0 2-Butynal H3C-C≡C-CH=O III-12
1645. 1 0 0 Butyne H-(CH2)n-C≡C-(CH2)(2-n)-H I.B-1
1646. 107-00-6 1 0 0 1-Butyne H3C-CH2-C ≡CH I.B-1
1647. 503-17-3 1 1 1 2-Butyne H3C-C≡C-CH3 I.B-1
1648. 7440-43-9 1 1 1 Cadmium Cd XX-5
1649. 7440-70-2 1 1 1 Calcium Ca XX-5
1650. 14127-61-8 0 1 0 Calcium, ion Ca+2
XX-5
1651. 1305-78-8 0 1 0 Calcium oxide CaO XX-5, XX-6
1652. 15124-81-9 0 1 0 Calcium, isotope of mass 49 XX-5
1653. 9064-51-1 54724-00-4
0 1 0 Callose {1,3-β-D-glucan} II.A-5, VIII-3
1654. 101-21-3 0 1 0 Carbamic acid, 3-chlorophenyl-, (1-methylethyl) ester {Chloropropham®}
XXI-3
1655. 23103-98-2 0 1 0 Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester {Pirimicarb®}
XXI-3, XVII.B-2, XXI-3
1656. 25606-41-1 0 1 0 Carbamic acid, 3-(dimethylamino)propyl-, propyl ester, hydrochloride {Propamocarb hydrochloride®}
HN
COO-(CH2)2-CH3
(CH2)3-N(CH3)2
HCl.
V-3, XXI-3
1657. 51-79-6 1 1 1 Carbamic acid, ethyl ester {urethan} H2N-COO-C2H5 V-3
1658. 598-55-0 0 1 0 Carbamic acid, methyl ester H2N-COO-CH3 V-3
1659. 137-42-8 0 1 0 Carbamic acid, N-methyldithio-, monosodium salt {Metham-sodium®}
XVIII.A-1, XX-6, XXI-3
1660. 594-07-0 0 1 0 Carbamodithioic acid H2N-CSSH XVIII.A-1
1661. 9006-42-2 0 1 0 Carbamodithioic acid, 1,2-ethylene(bis-, polymer with ammonia complex of zinc ethylenebis-dithiocarbamate {Metiram®}
XXI-3
1662. 1114-71-2 0 1 0 Carbamothioic acid, butylethyl-, S-propyl ester {Tillam®; Pebulate®} N-CO-S-(CH2)2-CH3
H3C-CH2
H3C-(CH2)3
XVIII.A-1, XXI-3
1663. 759-94-4 0 1 0 Carbamothioic acid, dipropyl-, S-ethyl ester {EPTC®}
XVIII.A-1, XXI-3
1664. 1929-77-7 0 1 0 Carbamothioic acid, dipropyl-, S-propyl ester {Vernolate®}
XVIII.A-1, XXI-3
66
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1665. 2303-17-5 0 1 0 Carbamothioic acid, S-(2,3,3-trichloro-2-propenyl) bis(1-methylethyl) ester {Triallate®}
XVIII.A-1, XXI-3
1666. 9012-49-1 0 1 0 Carbamoyltransferase, aspartate XXII-2
1667. 1 0 0 Carbazole XVII.E-6
1668. 86-74-8 1 0 0 9H-Carbazole {dibenzo[b,d]pyrrole}
NH
12
45
6
78
9
XVII.E-6
1669. 1 0 0 9H-Carbazole, alkyl- XVII.E-6
1670. 1 0 0 9H-Carbazole, 9-alkyl- XVII.E-6
1671. 4539-51-9 1 0 0 9H-Carbazole, 2-amino- XII-2, XVII.E-6
1672. 1 0 0 9H-Carbazole, 2-amino-ethyl- XII-2, XVII.E-6
1673. 30642-38-7 1 0 0 9H-Carbazole, dimethyl- XVII.E-6
1674. 14171-85-8 1 0 0 9H-Carbazole, 1,9-dimethyl- XVII.E-6
1675. 24075-47-6 1 0 0 9H-Carbazole, 2,9-dimethyl- XVII.E-6
1676. 24075-48-7 1 0 0 9H-Carbazole, 3,9-dimethyl- XVII.E-6
1677. 24075-49-8 1 0 0 9H-Carbazole, 4,9-dimethyl- XVII.E-6
1678. 71277-85-5 1 0 0 9H-Carbazole, ethyl- XVII.E-6
1679. 86-28-2 1 0 0 9H-Carbazole, 9-ethyl- XVII.E-6
1680. 27323-29-1 1 0 0 9H-Carbazole, methyl- XVII.E-6
1681. 6510-65-2 1 0 0 9H-Carbazole, 1-methyl- XVII.E-6
1682. 3652-91-3 1 0 0 9H-Carbazole, 2-methyl- XVII.E-6
1683. 4630-20-0 1 0 0 9H-Carbazole, 3-methyl- XVII.E-6
1684. 3770-48-7 1 0 0 9H-Carbazole, 4-methyl- XVII.E-6
1685. 1484-12-4 1 0 0 9H-Carbazole, 9-methyl- XVII.E-6
1686. 64844-53-7 1 0 0 9H-Carbazole, tetramethyl- XVII.E-6
1687. 64844-51-5 1 0 0 9H-Carbazole, trimethyl- XVII.E-6
1688. 7440-44-0 1 1 1 Carbon C XX-5
1689. 14762-75-5 1 0 0 Carbon, isotope of mass 14 14
C XX-5
1690. 124-38-9 1 1 1 Carbon dioxide CO2 XIX-5
1691. 51-90-1 1 0 0 Carbon-14
C dioxide 14
CO2 XIX-5
1692. 75-15-0 1 0 0 Carbon disulfide CS2 XIX-5
1693. 630-08-0 1 0 0 Carbon monoxide CO XIX-5
1694. 7665-54-5 1 0 0 Carbon-14
C monoxide 14
CO XIX-5
1695. 463-58-1 1 0 0 Carbon oxide sulfide (COS) {carbonyl sulfide} COS XIX-5
1696. 75-44-5 0 1 0 Carbon oxychloride {phosgene} COCl2 XIX-5, XVIII.B-3, XXI-3
1697. 2944-05-0 1 0 0 Carbon sulfide CS XIX-5
1698. 56-23-5 0 1 0 Carbon tetrachloride CCl4 XVIII.B-3, XXI-3
1699. 10361-29-2 1 0 0 Carbonic acid, ammonium salt (NH4)2CO3 XX-6
1700. 471-34-1 1 0 0 Carbonic acid, calcium salt CaCO3 XX-6
1701. 13717-00-5 0 1 0 Carbonic acid, magnesium salt MgCO3 XX-6
67
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1702. 584-08-7 0 1 0 Carbonic acid, dipotassium salt K2CO3 XX-6
1703. 497-19-8 0 1 0 Carbonic acid, disodium salt {sodium carbonate} Na2CO3 XX-6
1704. 1066-33-7 1 1 1 Carbonic acid, monoammonium salt
{ammonium hydrogen carbonate}
(NH4)HCO3 XX-6
1705. 298-14-6 0 1 0 Carbonic acid, monopotassium salt KHCO3 XX-6
1706. 144-55-8 0 1 0 Carbonic acid, monosodium salt NaHCO3 XX-6
1707. 9031-55-4 0 1 0 Carboxylase XXII-2
1708. 9067-77-0 0 1 0 Carboxylase, phosphoenolpyruvate (phosphate) XXII-2
1709. 37341-54-1 0 1 0 Carboxylase, phosphopyruvate XXII-2
1710. 9027-23-0 0 1 0 Carboxylase, ribulose diphosphate XXII-2
1711. 131201-61-1 0 1 0 Carboxylase, ribulose diphosphate (Nicotiana sylvestris clone NySS4 small subunit precursor reduced)
XXII-2
1712. 9031-98-5 0 1 0 Carboxypeptidase XXII-2
1713. 7235-40-7 1 1 1 β,β-Carotene {β-carotene, all-trans}
CH3
H3C CH3CH3 CH3
CH3 CH3
H3C
CH3H3C
I.C-3
1714. 6811-73-0 0 1 0 β,β-Carotene, 13-cis- I.C-3
1715. 68295-84-1 0 1 0 β,β-Carotene, neo I.C-3
1716. 14660-91-4 0 1 0 β,β-Carotene, 6,7-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro-3,3',5-trihydroxy-, (3S,3'S,5R,5'R,6R,6'S,9'-cis)- {neoxanthin}
II.A-5
1717. 30743-41-0 0 1 0 β,β-Carotene, 6,7-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro-3,3',5-trihydroxy-, (3S,3'S,5R,5'R,6R,6'S)-
II.A-5
1718. 29472-68-2 0 1 0 β,β-Carotene-3,3'-diol {zeaxanthin} II.A-5
1719. 144-68-3 0 1 0 β,β-Carotene-3,3'-diol, (3R,3'R)- {zeaxanthin} II.A-5
1720. 126-29-4 0 1 0 β,β-Carotene-3,3'-diol, 5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-, (3S,3'S,5R,5'R,6S,6'S)- {violaxanthin}
HO CH3
H3C CH3
O
CH3 CH3
CH3 CH3
O
H3C OH
CH3H3C
II.A-5, X-2
1721. 26927-07-1 0 1 0 β,β-Carotene-3,3'-diol, 5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-, (3S,3'S,5R,5'R,6S,6'S,9-cis)-
II.A-5, X-2
1722. 68831-78-7 0 1 0 β,β-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, (3S,3'R,5R,6S,9-cis)-
II.A-5, X-2
1723. 472-70-8 0 1 0 β,β-Caroten-3-ol, (3R)- {cryptoxanthin} II.A-5
1724. 7488-99-5 0 1 0 β,ε-Carotene, (6'R)- {α-carotene} I.C-3
1725. 17539-43-4 0 1 0 β,ε-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro- II.A-5, X-2
1726. 28368-08-3 0 1 0 β,ε-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, (3S,3'R,5R,6S,6'R)-
II.A-5, X-2
1727. 512-29-8 0 1 0 β,ε-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-, (3S,3'R,5R,6'R,8R)- {flavoxanthin}
II.A-5, X-2
1728. 127-40-2 0 1 0 β,ε-Carotene-3,3'-diol, (3R,3'R,6'R)- {xanthophyll; lutein}
HO CH3
H3C CH3CH3 CH3
CH3 CH3
H3C OH
CH3H3C
II.A-5
68
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1729. 502-65-8 1 1 1 ψ,ψ-Carotene {lycopene}
I.C-3
1730. 540-04-5 0 1 0 ψ,ψ-Carotene, 7,7',8,8',11,11',12,12'-octahydro- {phytoene}
I.C-3
1731. 540-05-6 0 1 0 ψ,ψ-Carotene, 7,7',8,8',11,12-hexahydro- {phytofluene}
I.C-3
1732. 9001-05-2 0 1 0 Catalase XXII-2
1733. 28231-03-0 0 1 0 Cedrenol
OH
CH3
CH3
H3C
OH
CH3
CH3
H3C
II.A-5
1734. 528-50-7 0 1 0 Cellobiose II.A-5, VIII-3, X-2
1735. 9012-54-8 0 1 0 Cellulase XXII-2
1736. 9004-34-6 0 1 0 Cellulose II.A-5, VIII-3
1737. 0 1 0 Cellulose, labeled with 14
C {cellulose-14
C} XXV-29
1738. 9000-11-7 0 1 0 Cellulose, carboxymethyl ether II.A-5, VIII-3, X-2
1739. 9004-57-3 0 1 0 Cellulose, ethyl ether II.A-5, VIII-3, X-2
1740. 9004-67-5 0 1 0 Cellulose, methyl ether II.A-5, VIII-3, X-2
1741. 7440-45-1 1 1 1 Cerium Ce XX-5
1742. 14762-78-8 0 1 0 Cerium, isotope of mass 144 144
Ce XX-5
1743. 7440-46-2 1 1 1 Cesium Cs XX-5
1744. 13967-70-9 1 1 1 Cesium, isotope of mass 134 134
Cs XX-5
1745. 10045-97-3 1 1 1 Cesium, isotope of mass 137 137
Cs XX-5
1746. 9001-06-3 0 1 0 Chitinase XXII-2
1747. 131554-01-3 0 1 0 Chitinase (Nicotiana tabacum samsun isoenzyme reduced)
XXII-2
1748. 148348-37-2 0 1 0 Chitinase (Nicotiana tabacum xanthi clone pBSCL226 isoenzyme III precursor reduced)
XXII-2
1749. 152619-17-5 0 1 0 Chitinase (tobacco basic isoenzyme III precursor reduced)
XXII-2
1750. 128285-05-2 0 1 0 Chitinase (tobacco clone lambda.CHN17 basic isoenzyme precursor reduced)
XXII-2
1751. 128285-06-3 0 1 0 Chitinase (tobacco clone lambda.CHN17 basic isoenzyme reduced)
XXII-2
1752. 159520-75-9 0 1 0 Chitinase (tobacco clone 59 gene chi-V precursor reduced)
XXII-2
1753. 16887-00-6 1 1 1 Chloride Cl-1 XVIII.B-3, XX-5
1754. 7782-50-5 1 1 1 Chlorine Cl2 XVIII.B-3, XX-5
1755. 14158-34-0 0 1 0 Chlorine, isotope of mass 38 38
Cl2 XVIII.B-3, XX-5
1756. 9025-96-1 0 1 0 Chlorophyllase XXII-2
69
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1757. 42617-16-3 0 1 0 Chlorophyll a {also listed under Magnesium} XX-6, XVII.A-5
1758. 519-62-0 0 1 0 Chlorophyll b {also listed under Magnesium} XX-6, XVII.A-5
1759. 1406-65-1 0 1 0 Chlorophylls a + b XX-6, XVII.A-5
1760. 14897-06-4 0 1 0 Chlorophyllide XX-6, XVII.A-5
1761. 11006-34-1 0 1 0 Chlorophyllin XX-6, XVII.A-5
1762. 119973-28-3 1 0 0 Chol-3-ene, 23-methyl-, (5α)- I.C-1
1763. 747-90-0 1 0 0 Cholesta-3,5-diene I.C-1
1764. 1 0 0 Cholesta-3,5-diene, 24-ethyl- I.C-1
1765. 481-21-0 0 1 0 Cholestane, (5α)- {coprostane}
CH3
CH3
CH3
CH3
H3C
I.C-1
1766. 1 0 0 Cholesta-3,5,22-triene, 24-methyl- I.C-1
1767. 119973-28-3 1 0 0 Chol-3-ene, 23-methyl-, (5α)- I.C-1
1768. 747-90-0 1 0 0 Cholesta-3,5-diene I.C-1
1769. 1 0 0 Cholesta-3,5-diene, 24-ethyl- I.C-1
1770. 481-21-0 0 1 0 Cholestane, (5α)- {coprostane}
CH3
CH3
CH3
CH3
H3C
I.C-1
1771. 1 0 0 Cholesta-3,5,22-triene, 24-methyl- I.C-1
1772. 96443-01-5 1 0 0 Cholest-4-en-3-ol, 4-methyl- (3α) II.B-2
1773. 57-88-5 1 1 1 Cholest-5-en-3-ol (3β)- {cholesterol}
CH3
CH3
CH3
HO
CH3
CH3
II.B-2
1774. 0 1 0 Cholest-5-en-3-ol (3β)-, 9,12,15-octadecatrienoate,
[3β(Z,Z,Z),22E]- {cholesteryl linolenate}
II.B-2, V-3
1775. 0 1 0 Cholest-5-en-3-ol (3β)-, 9-octadecenoate,
[3β(Z),22E]- {cholesteryl oleate}
II.B-2, V-3
1776. 0 1 0 Cholest-5-en-3-ol (3β)-, octadecanoate, (3β,22E)- {cholesteryl stearate}
II.B-2, V-3
1777. 474-77-1 0 1 0 Cholest-5-en-3-ol, (3α)-) {epicholesterol} II.B-2
1778. 1253-88-9 0 1 0 Cholest-5-en-3-ol, 4,4-dimethyl-, (3β)- II.B-2
1779. 6036-58-4 0 1 0 Cholest-7-en-3-ol, (3β)- II.B-2
1780. 481-25-4 0 1 0 Cholest-7-en-3-ol, 4-methyl-, (3β,4α,5α)- II.B-2
1781. 6062-47-1 0 1 0 Cholest-8-en-3-ol, 14-methyl-, (3β,5α)- II.B-2
1782. 5241-24-7 0 1 0 Cholest-8-en-3-ol, 4,4-dimethyl-, (3β,5α)- II.B-2
70
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1783. 5241-22-5 0 1 0 Cholest-8-en-3-ol, 4-methyl-, (3β,4α,5α)- II.B-2
1784. 100017-41-2 0 1 0 Cholest-9(11)-en-3-ol, 14-methyl-, (3β,5α)- II.B-2
1785. 7440-47-3 1 1 1 Chromium Cr XX-5
1786. 14392-02-0 1 1 1 Chromium, isotope of mass 51 51
Cr XX-5
1787. 218-01-9 1 1 1 Chrysene {1,2-benzophenanthrene}
I.E-6
1788. 1 0 0 Chrysene, alkyl- I.E-6
1789. 2642-98-0 1 0 0 Chrysene, 6-amino- I.E-6, XII-2
1790. 41637-92-7 1 0 0 Chrysene, dimethyl- {at least 3 isomers in MSS} I.E-6
1791. 71277-86-6 1 0 0 Chrysene, ethyl- I.E-6
1792. 71277-87-7 1 0 0 Chrysene, ethylmethyl- I.E-6
1793. 41637-90-5 1 0 0 Chrysene, methyl- I.E-6
1794. 3351-28-8 1 0 0 Chrysene, 1-methyl- I.E-6
1795. 3351-32-4 1 0 0 Chrysene, 2-methyl- I.E-6
1796. 3351-31-3 1 0 0 Chrysene, 3-methyl- I.E-6
1797. 3351-30-2 1 0 0 Chrysene, 4-methyl- I.E-6
1798. 3697-24-3 1 0 0 Chrysene, 5-methyl- I.E-6
1799. 1705-85-7 1 0 0 Chrysene, 6-methyl- I.E-6
1800. 7496-02-8 1 0 0 Chrysene, 6-nitro- XVI-1
1801. 71277-88-8 1 0 0 Chrysene, pentamethyl- I.E-6
1802. 71277-89-9 1 0 0 Chrysene, propyl- I.E-6
1803. 71277-90-2 1 0 0 Chrysene, tetramethyl- I.E-6
1804. 60826-77-9 1 0 0 Chrysene, trimethyl- I.E-6
1805. 253-66-7 1 0 0 Cinnoline {1,2-diazanaphthalene}
XVII.E-6
1806. 63863-33-2 1 0 0 Cinnoline, dihydro- XVII.E-6
1807. 14722-38-4 1 0 0 Cinnoline, 4-methyl- XVII.E-6
1808. 7440-48-4 1 1 1 Cobalt Co XX-5
1809. 10198-40-0 1 1 1 Cobalt, isotope of mass 60 60
Co XX-5
1810. 1 0 0 Cobalt carbonyl XX-6
1811. 85-61-0 0 1 0 Coenzyme A XXII-2
1812. 604-98-8 0 1 0 Coenzyme A, S-(hydrogen butanedioate) XXII-2
1813. 7440-50-8 1 1 1 Copper Cu XX-5
1814. 0 1 0 Copper, ion Cu+2
XX-5
1815. 1317-39-1 0 1 0 Copper oxide XX-6
1816. 1332-40-7
1332-65-6
0 1 0 Copper oxychloride {RAME} XXI-3
1817. 8012-69-9 0 1 0 Copper oxychloride sulfate Cu2Cl(OH)3 + Cu4(OH)6(SO4) XXI-3
1818. 7758-98-7 0 1 0 Copper sulfate XXI-3
71
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1819. 191-07-1 1 1 1 Coronene
I.E-6
1820. 64760-15-2 1 0 0 Coronene, dimethyl- I.E-6
1821. 13119-86-3 1 0 0 Coronene, methyl- I.E-6
1822. 115742-70-6 0 1 0 Cryptogein XXII-2
1823. 156-62-7 0 1 0 Cyanamide, calcium salt Ca=N-CN XI-2, XXI-3
1824. 1467-79-4 1 0 0 Cyanamide, dimethyl- (CH3)2=N-CN XI-2
1825. 590-28-3 0 1 0 Cyanic acid, potassium salt K-OCN- XX-6, XXI-3
1826. 57-12-5 1 0 0 Cyanide ion CN-1 XI-2
1827. 1 0 0 Cyanide radical CN XXVII-1
1828. 1 0 0 Cyanide radical {acrylonitrile radical} C3H2N XXVII-1
1829. 1 0 0 Cyanide radical C3H4N XXVII-1
1830. 94185-89-4 0 1 0 Cyclase, farnesyl pyrophosphate XXII-2
1831. 60485-38-3 0 1 0 9,19-Cyclocholest-24-en-3-ol, 4,14-dimethyl-,
(3β,4α,5α)-
II.B-2
1832. 34443-88-4 0 1 0 9,19-Cycloergost-24(28)-en-3-ol, 14-methyl-,
(3β,5α)-
II.B-2
1833. 469-39-6 0 1 0 9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-,
(3β,4α,5α)-
II.B-2
1834. 34347-58-5 0 1 0 9,19-Cycloergostan-3-ol, 14-methyl-, (3β,5α,9β)- II.B-2
1835. 59780-40-4 0 1 0 9,19-Cycloergostan-3-ol, 4,14-dimethyl-,
(3β,4α,5α,24ξ)-
II.B-2
1836. 0 1 0 2,4-Cycloheptadien-1-one, 2,6,6-trimethyl- {eucarvone}
III-13
1837. 502-42-1 1 0 0 Cycloheptanone {suberone}
O
III-13
1838. 544-25-2 1 0 0 1,3,5-Cycloheptatriene {tropilidene}
I.C-1
1839. 29797-09-9 1 0 0 Cyclohexadiene I.C-1
1840. 592-57-4 1 0 0 1,3-Cyclohexadiene 1
2
3
4
5
6
I.C-1
1841. 99-86-5 1 1 1 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-
{α-terpinene}
I.C-1
1842. 99-83-2 1 1 1 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-
{α-phellandrene}
I.C-1
1843. 4221-98-1 1 1 1 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-,
(R)- {α-phellandrene}
I.C-1
1844. 116-26-7 0 1 0 1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl- {safranal}
III-12
1845. 0 1 0 1,3-Cyclohexadiene, 1,2,6,6-tetramethyl- I.C-1
72
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1846. 628-41-1 0 1 0 1,4-Cyclohexadiene 1
2
3
4
5
6
I.C-1
1847. 99-85-4 0 1 0 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- I.C-1
1848. 617-12-9 0 1 0 1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, (3R-E)-
II.A-5, IV.A-3
1849. 1 0 0 Cyclohexadienedione {quinone} IX.B-2
1850. 106-51-4 1 0 0 2,5-Cyclohexadiene-1,4-dione {p-benzoquinone} OO
IX.B-2
1851. 106-34-3 1 0 0 2,5-Cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol (1:1)
IX.A-22, IX.B-2
1852. 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2,3-dihydro- IX.B-2
1853. 1 1 1 2,5-Cyclohexadiene-1,4-dione, 2,3-dihydro-2,2,6-trimethyl-
IX.B-2
1854. 303-98-0 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecenyl)-6-methyl- {ubiquinone-10}
( )H3CO
H3CO CH3
CH3
10
H
O
O
IX.B-2
1855. 137-18-8 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl- IX.B-2
1856. 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-
IX.B-2
1857. 527-61-7 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl- IX.B-2
1858. 4299-57-4 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22, 26,30,34-hexatriacontanonaenyl)-, (all-E)- {plastoquinone}
IX.B-2
1859. 606-06-4 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-, (E)-
IX.B-2, X-2
1860. 2474-72-8 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy- II.A-5, IX.B-2
1861. 3361-10-2 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-6-methyl-
II.A-5, IX.B-2
1862. 7559-04-8 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-, [3R- (3R*,7R*,11R*)]-
II.A-5, IX.B-2
1863. 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2-methoxy- IX.B-2, X-2
1864. 553-97-9 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2-methyl- IX.B-2
1865. 527-17-3 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl- IX.B-2
1866. 935-92-2 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl- IX.B-2
1867. 583-63-1 1 1 1 3,5-Cyclohexadiene-1,2-dione {o-benzoquinone} O
O
IX.B-2
1868. 0 1 0 2,4-Cyclohexadien-1-one, 2,6,6-trimethyl- III-13
1869. 0 1 0 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-hydoxy-4-methyl-
II.A-5, III-13
73
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1870. 110-82-7 1 0 0 Cyclohexane
I.C-1
1871. 27195-67-1 1 0 0 Cyclohexane, dimethyl- I.C-1
1872. 1 0 0 Cyclohexane, ethyl- I.C-1
1873. 108-87-2 1 0 0 Cyclohexane, methyl- I.C-1
1874. 1 0 0 Cyclohexane, propyl- I.C-1
1875. 27013-35-0 1 0 0 Cyclohexane, methyl-(1-methylethenyl)- I.C-1
1876. 29887-60-3 0 1 0 Cyclohexane, 1,2-dimethoxy-, (E) X-2
1877. 590-66-9 1 0 0 Cyclohexane, 1,1-dimethyl- I.C-1
1878. 591-21-9 1 0 0 Cyclohexane, 1,3-dimethyl- I.C-1
1879. 33880-83-0 0 1 0 Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-
methylethenyl)-, (1α,2β,4β)-
I.C-1
1880. 515-13-9 0 1 0 Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-
methylethenyl)-, [1S-(1α,2β,4β)]-
I.C-1
1881. 62238-31-7 1 0 0 Cyclohexane, 1-ethyl-1,3-dimethyl-, (Z)- I.C-1
1882. 62238-29-3 1 0 0 Cyclohexane, 1-ethyl-1,3-dimethyl-, (E)- I.C-1
1883. 62238-30-6 1 0 0 Cyclohexane, 1-ethyl-1,4-dimethyl-, (Z)- I.C-1
1884. 62238-32-8 1 0 0 Cyclohexane, 1-ethyl-1,4-dimethyl-, (E)- I.C-1
1885. 1 0 0 Cyclohexane, 1-ethyl-2-propyl- I.C-1
1886. 608-73-1 1 1 1 Cyclohexane, 1,2,3,4,5,6-hexachloro- XVIII.B-3, XXI-3
1887. 319-84-6 1 1 1 Cyclohexane, 1,2,3,4,5,6-hexachloro- {α Lindane®}
XVIII.B-3, XXI-3
1888. 319-85-7 1 1 1 Cyclohexane, 1,2,3,4,5,6-hexachloro- {β Lindane®}
XVIII.B-3, XXI-3
1889. 58-89-9 1 1 1 Cyclohexane, 1,2,3,4,5,6-hexachloro-,
(1α,2α,3β,4α,5α,6β)- {γ-Lindane®}
XVIII.B-3, XXI-3
1890. 319-86-8 1 1 1 Cyclohexane, 1,2,3,4,5,6-hexachloro- {δ Lindane®}
XVIII.B-3, XXI-3
1891. 13828-34-7 1 0 0 Cyclohexane, 1-methyl-3-(1-methylethylidene)- I.C-1
1892. 1 0 0 Cyclohexane, 1-methyl-4-(1-methylethyl)- {p-menthane}
I.C-1
1893. 1 0 0 Cyclohexane, 1,2,4,5-tetraethyl- I.C-1
1894. 3073-66-3 1 0 0 Cyclohexane, 1,1,3-trimethyl- I.C-1
1895. 2043-61-0 0 1 0 Cyclohexanecarboxaldehyde III-12
1896. 34214-77-2 0 1 0 Cyclohexanecarboxylic acid, 3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]trihydroxy-
, (1α,3α,4α,5β)-
II.A-2, IV.A-3, IX.A-22
1897. 77-95-2
562-73-2
1 1 1 Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy- {quinic acid}
HO
HO
HO
OH
COOH
II.A-2, IV.A-3
1898. 36413-60-2 0 1 0 Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-,
(1α,3α,4α,5β)-
II.A-2, IV.A-3
74
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1899. 27044-07-1 0 1 0 Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, monoester with 3-(4-hydroxy-3-methoxyphenyl)-2-
propenoic acid, (1α,3α,4α,5β)-
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1900. 1899-29-2 0 1 0 Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-
propenyl]oxy]-, (1α,3α,4α,5β)-
{3-O-feruloylquinic acid}
O
O
OCH3
OHHO
OH
OH
HOOC
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1901. 1899-30-5 0 1 0 Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [1S-
(1α,3α,4α,5β)]- {p-coumaroylquinic acid}
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1902. 2450-53-5 0 1 0 Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-
dihydroxy-, [1R-(1α,3α,4α,5β)]-
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1903. 15016-60-1 0 1 0 Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-
trihydroxy-, [1R- [1α,3β(Z),4α,5α]]-
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1904. 15076-00-3 0 1 0 Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-
trihydroxy-, [1R- [1α,3β(E),4α,5α]]-
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1905. 327-97-9
93451-46-8
1 1 1 Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-
trihydroxy-, [1S-(1α,3β,4α,5α)]-
{chlorogenic acid; 3-O-caffeoylquinic acid}
OH
OH
O
OH
OH
OH
HOOC
O
II.A-2, IV.A-3, V-3, IX.A-22, X-2, XXI-3
1906. 906-33-2 0 1 0 Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-
trihydroxy-, [1R-(1α,3α,4α,5β)]-
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1907. 1 1 1 Cyclohexanecarboxylic acid, 5-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-
{neochlorogenic acid; 5-O-caffeoylquinic acid
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1908. 55635-13-7 0 1 0 Cyclohexanecarboxylic acid, 2,2-dimethyl-2,4-dioxo-3-(1-((2-propenyloxy)amino)butylidene)-, methyl ester, sodium salt {Alloxydim-sodium®}
III-13, XXI-3
1909. 24321-18-4 0 1 0 Cyclohexanecarboxylic acid, 3-[[3-(3,4-dioxo-1,5-cyclohexadien-1-yl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1910. 70898-22-5 0 1 0 Cyclohexanecarboxylic acid, 3-[[3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-
(1α,3β,4α,5α)]-
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1911. 17608-52-5 0 1 0 Cyclohexanecarboxylic acid, 4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxy- {4-O-caffeoylquinic acid}
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1912. 905-99-7 0 1 0 Cyclohexanecarboxylic acid, 4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-
trihydroxy-, (1α,3α,4α,5β)-
II.A-2, IV.A-3, V-3, IX.A-22, X-2
1913. 82612-14-4 0 1 0 1,2-Cyclohexanediol, 4-[1-(acetyloxy)-1-
methylethyl]-1-methyl-, (1α,2β,4α)-(±)-
II.A-2, V-3
75
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1914. 112019-00-8 0 1 0 1,2-Cyclohexanediol, 2-(3-hydroxy-1-butenyl)-1,3,3-
trimethyl-, [1R-[1α,2α,2(1E,3S*)]]-
II.A-2
1915. 38713-11-0 0 1 0 1,2-Cyclohexanediol, 1,3,3-trimethyl- II.A-2
1916. 88663-71-2 0 1 0 1,4-Cyclohexanediol, 1-(1-hydroxy-1-methylethyl)-4-methyl-, 4-acetate, (E)-
HO
CH3
OH
CH3
CH3H3C-COO
II.A-2, V-3
1917. 88663-72-3 0 1 0 1,4-Cyclohexanediol, 1-(1-hydroxy-1-methylethyl)-4-methyl-, 4-acetate, (Z)-
II.A-2, V-3
1918. 59632-88-1 0 1 0 1,4-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 1-acetate, (Z)-
II.A-2
1919. 59632-87-0 0 1 0 1,4-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 1-acetate, (E)-
II.A-2
1920. 765-87-7 0 1 0 1,2-Cyclohexanedione O
O
III-13
1921. 1 0 0 1,2-Cyclohexanedione, 4-methyl- III-13
1922. 3008-43-3 0 1 0 1,2-Cyclohexanedione, 6-methyl- III-13
1923. 1919-64-8 0 1 0 1,3-Cyclohexanedione, 5,5-dimethyl-2-propyl- III-13
1924. 1193-55-1 1 1 1 1,3-Cyclohexanedione, 2-methyl- III-13
1925. 637-88-7 1 1 1 1,4-Cyclohexanedione OO
III-13
1926. 20547-99-3 1 1 1 1,4-Cyclohexanedione, 2,2,6-trimethyl- {4-ketodihydroisophorone}
III-13
1927. 13487-27-9 0 1 0 Cyclohexanemethanol, α-methyl-, acetate CH3
OOC-CH3
V-3
1928. 639-99-6 0 1 0 Cyclohexanemethanol, 4-ethenyl-α,α,4-trimethyl-3-
(1-methylethenyl)-, [1R-(1α,3α,4β)]-
II.A-5
1929. 2451-01-6 1 0 0 Cyclohexanemethanol, 4-hydroxy-α,α,4-trimethyl-, monohydrate, cis- {terpin hydrate}
II.A-5
1930. 104153-60-8 0 1 0 1,2,3-Cyclohexanetriol, 1-methyl-4-(1-methylethyl)- II.A-5
1931. 108-93-0 1 0 0 Cyclohexanol II.A-5
1932. 60759-94-6 0 1 0 Cyclohexanol, 1-(3-hydroxy-1-butenyl)-2,2-dimethyl-6-methylene-
II.A-5
1933. 586-81-2 0 1 0 Cyclohexanol, 1-methyl-4-(1-methylethylidene)- II.A-5
1934. 10235-63-9 0 1 0 Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, acetate
V-3
1935. 22567-22-2 0 1 0 Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, [1R-
(1α,2α,5β)]-
II.A-5
1936. 51773-45-6 0 1 0 Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, [1R-
(1α,2α,5α)]-
II.A-5
1937. 88437-32-5 0 1 0 Cyclohexanol, 4-(2-hydroxy-1-methylethylidene)-1-methyl-, 1-acetate
V-3
1938. 89-79-2 0 1 0 Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, [1R-
(1α,2β,5α)]-
II.A-5
76
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1939. 1490-04-6 0 1 0 Cyclohexanol, 5-methyl-2-(1-methylethyl)- II.A-5
1940. 89-78-1 1 1 1 Cyclohexanol, 5-methyl-2-(1-methylethyl)-,
(1α,2β,5α)- {menthol}
CH3
OH
CH3H3C
II.A-5
1941. 1 1 1 Cyclohexanol, 5-methyl-2-(1-methylethyl)-,
(1α,2β,5α)-14
C(U), labeled with 14
C {
14C-menthol (U)}
II.A-5
1942. 2216-51-5 0 1 0 Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-
(1α,2β,5α)]-
II.A-5
1943. 16409-45-3 0 1 0 Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate V-3
1944. 108-94-1 1 0 0 Cyclohexanone III-13
1945. 2816-57-1 0 1 0 Cyclohexanone, 2,6-dimethyl- III-13
1946. 71607-84-6 1 0 0 Cyclohexanone, ethenylmethyl- III-13
1947. 50874-76-5 0 1 0 Cyclohexanone, trimethyl- III-13
1948. 7500-42-7 0 1 0 Cyclohexanone, 2-hydroxy-2,6,6-trimethyl- II.A-5, III-13
1949. 38462-22-5 0 1 0 Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-
H3C
O
CH3
SH
CH3
III-13, XVIII.A-1
1950. 0 1 0 Cyclohexanone, 2-methyl- III-13
1951. 7764-50-3 1 0 0 Cyclohexanone, 2-methyl-5-(1-methylethenyl)- III-13
1952. 6909-25-7 0 1 0 Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2S-cis)-
III-13
1953. 5948-04-9 0 1 0 Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans-
III-13
1954. 491-07-6 0 1 0 Cyclohexanone, 2-methyl-5-(1-methylethyl)-, (E)- {dl-isomenthone}
III-13
1955. 0 1 0 Cyclohexanone, 2-(1-methylethyl)- {two isomers} III-13
1956. 15189-14-7 0 1 0 Cyclohexanone, 2,2,5,5-tetramethyl- III-13
1957. 2408-37-9 0 1 0 Cyclohexanone, 2,2,6-trimethyl-
{2,6,6-trimethylcyclohexanone}
III-13
1958. 0 1 0 Cyclohexanone, 2,4,4-trimethyl-3-(1-oxobutyl)- III-13
1959. 591-24-2 1 0 0 Cyclohexanone, 3-methyl- III-13
1960. 60026-21-3 0 1 0 Cyclohexanone, 3,3,5-trimethyl-4-(3-oxo-1-butenyl)- III-13
1961. 123716-12-1 1 0 0 Cyclohexanone, 4-(1-methylethyl)-3-(2-oxopropyl)- III-13
1962. 72491-45-3 0 1 0 Cyclohexanone, 4-(2-butenylidene)-3,3,5-trimethyl- III-13
1963. 20548-02-1 0 1 0 Cyclohexanone, 4-hydroxy-2,2,6-trimethyl- III-13
1964. 20548-03-2 0 1 0 Cyclohexanone, 4-hydroxy-3,3,5-trimethyl- III-13
1965. 529-00-0 0 1 0 Cyclohexanone, 5-methyl-2-(1-methylethenyl)- {isopulegone}
III-13
1966. 89-80-5 1 1 1 Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans- {menthone}
III-13
1967. 89-82-7 0 1 0 Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (R)- {pulegone}
III-13
77
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1968. 110-83-8 1 0 0 Cyclohexene I.C-1
1969. 74423-06-6 0 1 0 Cyclohexene, 2-(1,3-butadienyl)-1,3,3-trimethyl-, (E)- {megastigmatriene}
H3C CH3
CH3
CH2
I.C-1
1970. 70941-91-2 0 1 0 Cyclohexene, 6-(3,7-dimethyl-1,3,5,7-octatetraenyl)-1,5,5-trimethyl-, (E,E,E)-
I.C-1
1971. 495-62-5 0 1 0 Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl- {bisabolene}
I.C-1
1972. 25168-07-4 0 1 0 Cyclohexene, ethenyl- I.C-1
1973. 1 0 0 Cyclohexene, 3-ethenyl-1,3-di(4',8',12'-trimethyltridecyl)-
I.C-1
1974. 100-40-3 1 0 0 Cyclohexene, 4-ethenyl- I.C-1
1975. 20307-84-0 0 1 0 Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)- {δ-elemene}
I.C-1
1976. 1 0 0 Cyclohexene, 4-ethenyl-1,4-di(4',8',12'-trimethyltridecyl)-
I.C-1
1977. 1611-21-8 1 0 0 Cyclohexene, 5-ethenyl-1,5-dimethyl- I.C-1
1978. 591-49-1 1 0 0 Cyclohexene, 1-methyl- I.C-1
1979. 38738-60-2 1 0 0 Cyclohexene, 1-methyl-3-(1-methylethenyl)- {sylvestrene}
I.C-1
1980. 138-86-3 1 1 1 Cyclohexene, 1-methyl-4-(1-methylethenyl)-
{limonene; p-mentha-1,8-diene}
I.C-1
1981. 5989-27-5 1 0 0 Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)- {d-limonene}
I.C-1
1982. 5502-88-5 1 1 1 Cyclohexene, 1-methyl-4-(1-methylethyl)- I.C-1
1983. 586-62-9 0 1 0 Cyclohexene, 1-methyl-4-(1-methylethylidene)- {terpinolene}
I.C-1
1984. 1461-27-4 0 1 0 Cyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)- I.C-1
1985. 1 0 0 Cyclohexene, 3-methyl- I.C-1
1986. 586-67-4 1 0 0 Cyclohexene, 4-methyl-1-(1-methylethenyl)- {3,8-menthadiene}
I.C-1
1987. 5256-65-5 1 0 0 Cyclohexene, 3-methyl-6-(1-methylethyl)- I.C-1
1988. 23733-91-7 0 1 0 Cyclohexene, 3-methylene-4-(1-methylethenyl)-, (R)-
I.C-1
1989. 1 0 0 Cyclohexene, 3-(1"-methylene-5",9",13"-trimethyltetradecyl)-1-(4',8',12'-trimethyltridecyl)-
I.C-1
1990. 1 0 0 Cyclohexene, 4-(1"-methylene-5",9",13"-trimethyltetradecyl)-1-(4',8',12'-trimethyltridecyl)-
I.C-1
1991. 1192-88-7 1 0 0 1-Cyclohexene-1-carboxaldehyde III-12
1992. 432-25-7 0 1 0 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl- {β-cyclocitral}
III-12
1993. 471-90-9 0 1 0 1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl- {cyclogeranic acid}
IV.A-3
1994. 138-59-0 0 1 0 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-,
[3R-(3α,4α,5β)]- {shikimic acid}
II.A-5, IV.A-3
78
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
1995. 6082-44-6 0 1 0 1-Cyclohexene-1-carboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-
dihydroxy-, (3α,4α,5β)-
II.A-5, IV.A-3, V-3, IX.A-22
1996. 38073-89-1 0 1 0 3-Cyclohexene-1-carboxylic acid, 6-(1-methylethyl)-, cis-
IV.A-3
1997. 19894-91-8 0 1 0 1-Cyclohexene-1,4-dimethanol, α4,α4-dimethyl-, (S)-
II.A-5
1998. 1 1 1 2-Cyclohexene, 1-(2-oxopropyl) 3,5,5-trimethyl- III-13
1999. 35692-98-9 0 1 0 2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl- II.A-5, III-13
2000. 1125-21-9 1 1 1 2-Cyclohexene-1,4-dione, 2,6,6-trimethyl- {4-ketoisophorone; 4-oxoisophorone}
III-13
2001. 88663-73-4 0 1 0 1-Cyclohexene-1-methanol, 4-(acetyloxy)-α,α,4-trimethyl-
II.A-5, V-3
2002. 42370-41-2 0 1 0 3-Cyclohexene-1-methanol, 5-hydroxy-α,α,4-trimethyl-, trans-
II.A-5
2003. 498-71-5 0 1 0 3-Cyclohexene-1-methanol, 5-hydroxy-α,α,4-trimethyl-
II.A-5
2004. 98-55-5
1 1 1 3-Cyclohexene-1-methanol, α,α,4-trimethyl-
{α-terpineol}
CH3
OH
CH3
H3C
II.A-5
2005. 10482-56-1 1 1 1 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, (S)- II.A-5
2006. 80-26-2 1 1 1 3-Cyclohexene-1-methanol, α,α,4-trimethyl-,
acetate {α-terpinyl acetate}
II.A-5, V-3
2007. 822-67-3 1 1 1 2-Cyclohexen-1-ol II.A-5
2008. 536-30-1 0 1 0 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, (1S-Z)-
II.A-5
2009. 27185-80-4 0 1 0 2-Cyclohexen-1-ol, 3-(3-hydroxy-1-butenyl)-2,4,4-trimethyl-
II.A-5
2010. 470-99-5 0 1 0 2-Cyclohexen-1-ol, 3,5,5-trimethyl- {isophorol} II.A-5
2011. 0 1 0 2-Cyclohexen-1-ol, 3,5,5-trimethyl-4-methylene- II.A-5
2012. 13215-90-2 0 1 0 2-Cyclohexen-1-ol, 4-(2-butenylidene)-3,5,5-trimethyl- {megastigmatrienol}
II.A-5
2013. 62660-03-1 0 1 0 2-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-
OH
CH3
CH3HO
H3C CH3
1
2
3
45
CH3
OH
HO CH3
CH3H3C
3
4
5
6
7
8
9
Nomenclature by Enzell et al.
. II.A-5
2014. 68831-80-1 0 1 0 2-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5-
trimethyl-, [1S-[1α,4α(1E,3S*)]]-
II.A-5
2015. 68831-81-2 0 1 0 2-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5-
trimethyl-, [1S-[1α,4α(1E,3R*)]]-
II.A-5
79
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2016. 78830-91-8 0 1 0 3-Cyclohexen-1-ol, 1-(3-hydroxy-1-butenyl)-6,6-dimethyl-2-methylene-
CH3
CH3
CH2
H3C
OH
OH
1
2
6
4
5
3
II.A-5
2017. 33759-63-6 0 1 0 3-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-
H3C CH3
OH
CH3
CH3HO
II.A-5
2018. 121269-03-2 0 1 0 3-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (E)-
II.A-5
2019. 31162-45-5
58023-72-6
1 1 1 3-Cyclohexen-1-ol, 4-(3-hydroxy-1-butynyl)-3,5,5-trimethyl-
HO
OH
II.A-5
2020. 562-74-3 1 1 1 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- {4-carvomenthol}
II.A-5
2021. 23811-18-9 0 1 0 3-Cyclohexen-1-ol, 3,5,5-trimethyl-, (±)- II.A-5
2022. 930-68-7 1 1 1 2-Cyclohexen-1-one III-13
2023. 74051-80-2 0 1 0 2-Cyclohexen-1-one, 2-[1-(ethoximino)butyl]-5-[2-(ethylthio)-propyl]-3-hydroxy- {Sethoxydim®}
II.A-5, III-13, XXI-3
2024. 10316-66-2 1 0 0 2-Cyclohexen-1-one, 2-hydroxy- II.A-5, III-13
2025. 490-03-9 0 1 0 2-Cyclohexen-1-one, 2-hydroxy-3-methyl- {diosphenol}
II.A-5, III-13
2026. 65310-49-1 1 0 0 2-Cyclohexen-1-one, 2-hydroxy-3-propyl- II.A-5, III-13
2027. 1121-18-2 1 0 0 2-Cyclohexen-1-one, 2-methyl- III-13
2028. 99-49-0 1 1 1 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)- {l-carvone}
III-13
2029. 2244-16-8 0 1 0 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)- {d-carvone}
III-13
2030. 1 0 0 2-Cyclohexen-1-one, 2-propyl-3-methyl- {2 isomers}
III-13
2031. 1 0 0 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(1,3-butadienyl)-
III-13
2032. 27185-77-9 0 1 0 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-
III-13
2033. 20013-73-4 0 1 0 2-Cyclohexen-1-one, 2,6,6-trimethyl- III-13
2034. 5220-49-5 1 0 0 2-Cyclohexen-1-one, 3-amino- III-13, XII-2
2035. 67401-25-6 0 1 0 2-Cyclohexen-1-one, 3-(2-butenyl)-2,4,4-trimethyl-, (Z)-
III-13
2036. 1193-18-6 1 0 0 2-Cyclohexen-1-one, 3-methyl- III-13
2037. 89-81-6 0 1 0 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- {D-piperitone}
III-13
2038. 0 1 0 2-Cyclohexen-1-one, 3-methyl-2-(1,3-pentadienyl)- III-13
2039. 78-59-1 1 1 1 2-Cyclohexen-1-one, 3,5,5-trimethyl- {isophorone}
III-13
2040. 133304-85-5 1 0 0 2-Cyclohexen-1-one, 3,4-dimethyl-2-hydroxy- II.A-5, III-13
80
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2041. 2748-09-6 1 0 0 2-Cyclohexen-1-one, 3,5-dimethyl-2-hydroxy- II.A-5, III-13
2042. 2748-08-5 1 0 0 2-Cyclohexen-1-one, 3,6-dimethyl-2-hydroxy- II.A-5, III-13
2043. 41577-83-7 1 0 0 2-Cyclohexen-1-one, 3-ethyl-2-hydroxy- II.A-5, III-13
2044. 51771-56-3 1 1 1 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(1-methylethenyl)-
III-13
2045. 53398-09-7 0 1 0 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(1-oxo-2-butenyl)-
III-13
2046. 60026-25-7 1 1 1 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(1-propenyl)- III-13
2047. 33601-06-8 0 1 0 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1-butenyl)-, (R)-(+)-
III-13
2048. 20548-00-9 0 1 0 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- {methyleneisophorone}
III-13
2049. 5896-02-6 1 1 1 2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5-trimethyl-
O
III-13
2050. 38818-55-2 1 0 0 2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5-trimethyl-, (E)-
III-13
2051. 77761-55-8 0 1 0 2-Cyclohexen-1-one, 4-(2,3-dihydroxybutylidene)-3,5,5-trimethyl-
II.A-5, III-13
2052. 77842-24-1 0 1 0 2-Cyclohexen-1-one, 4-(2,3-dihydroxybutylidene)-3,5,5-trimethyl- {isomer}
II.A-5, III-13
2053. 1 0 0 2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5-triethyl-
III-13
2054. 5896-02-6 1 0 0 2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5-trimethyl-
III-13
2055. 1 0 0 2-Cyclohexen-1-one, 4-(2-butenyl)-3,5,5-trimethyl- III-13
2056. 13215-88-8 1 1 1 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-
III-13
2057. 5164-78-3 1 1 1 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (E,E)-
{megastigmatrienone} {trans-, trans-K1a} O
III-13
2058. 5298-13-5 1 1 1 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (E,Z)- {trans-,cis-K2a}
III-13
2059. 5492-79-5 1 1 1 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (Z,E)- {cis-, trans-K1b}
III-13
2060. 5164-79-4 1 1 1 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (Z,Z)- {cis-, cis-K2b}
III-13
2061. 1 1 1 2-Cyclohexen-1-one, 4-(3-butenylidene)-3,5,5-trimethyl-
III-13
2062. 0 1 0 2-Cyclohexen-1-one, 4-ethyl- III-13
2063. 62512-22-5 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)-1-butenyl]-3,5,5-trimethyl-
II.A-5, III-13, X-2
2064. 77699-19-5 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)-1-butenyl]-3,5,5-trimethyl-, [R-[R*,R*-(E)]]-
II.A-5, III-13, X-2
2065. 159813-37-3 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)-1-butenyl]-3,5,5-trimethyl-, [4R-[4R*(1E,3S*)]]-
II.A-5, III-13, X-2
81
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2066. 54835-70-0 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)-1-butenyl]-4-hydroxy-3,5,5-trimethyl-, [R-[R*,S*-(E)]]-
II.A-5, III-13, X-2
2067. 62512-23-6 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)butyl]-3,5,5-trimethyl-
II.A-5, III-13, X-2
2068. 91048-13-4 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)butylidene]-3,5,5-trimethyl-
II.A-5, III-13, X-2
2069. 34318-21-3 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-
trimethyl- {4-keto-α-ionol} H3C CH3
OH
CH3
CH3O
II.A-5, III-13
2070. 52210-15-8 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, [R-[R*,R*-(E)]]-
II.A-5, III-13
2071. 68759-08-0 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, [S-[R*,S*-(E)]]-
II.A-5, III-13
2072. 60047-19-0 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxybutyl)-3,5,5-
trimethyl- {4-ketodihydro-α-ionol}
II.A-5, III-13
2073. 36151-02-7 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxybutyl)-3,5,5-trimethyl-, [R-(R*,R*)]-
II.A-5, III-13
2074. 60026-24-6 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-
II.A-5, III-13
2075. 19620-37-2 0 1 0 2-Cyclohexen-1-one, 4-hydroxy-2,6,6-trimethyl- II.A-5, III-13
2076. 14203-59-9 0 1 0 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl- II.A-5, III-13
2077. 24427-77-8 1 0 0 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl- {vomifoliol}
II.A-5, III-13
2078. 0 1 0 2-Cyclohexen-1-one, 4-(1-methylethyl)- III-13
2079. 51171-72-3 1 0 0 2-Cyclohexen-1-one, 4-phenyl- III-13
2080. 1073-13-8 1 0 0 2-Cyclohexen-1-one, 4,4-dimethyl- III-13
2081. 5715-25-3 0 1 0 2-Cyclohexen-1-one, 4,5-dimethyl- III-13
2082. 7712-46-1 0 1 0 2-Cyclohexen-1-one, 5-(1-hydroxy-1-methylethyl)-2-methyl-
O
OH
II.A-5, III-13
2083. 56691-69-1 0 1 0 2-Cyclohexen-1-one, 5-[1-(acetyloxy)-1-methylethyl]-2-methyl-, (R)-
III-13, V-3
2084. 499-74-1 1 0 0 2-Cyclohexen-1-one, 6-methyl-3-(1-methylethyl)- III-13
2085. 4096-34-8 1 0 0 3-Cyclohexen-1-one III-13
2086. 0 1 0 3-Cyclohexen-1-one, 4-(1-butenyl)-3,5,5-trimethyl- III-13
2087. 471-01-2 1 0 0 3-Cyclohexen-1-one, 3,5,5-trimethyl- III-13
2088. 4657-58-3 0 1 0 9,19-Cyclolanostan-3-ol, (3β)- II.B-2
2089. 26955-76-0 0 1 0 9,19-Cyclolanostan-3-ol, 24,25-epoxy-, (3β)- II.B-2
2090. 1449-09-8 0 1 0 9,19-Cyclolanostan-3-ol, 24-methylene-, (3β)- II.B-2
2091. 469-38-5 1 0 0 9,19-Cyclolanost-24-en-3-ol, (3β)- {cycloartenol}
HO
H3C CH3
CH3
CH3
CH3
CH3
CH3
II.B-2
82
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2092. 25692-13-1 0 1 0 9,19-Cyclolanost-24-en-3-ol, 24-methyl-, (3β)- II.B-2
2093. 51088-90-5 0 1 0 9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3β,24S)- II.B-2
2094. 511-61-5 0 1 0 9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3β,24S)- II.B-2
2095. 124713-05-9 0 1 0 9,19-Cyclolanost-5-en-3-ol, 24-methylene-, (3β)- II.B-2
2096. 629-20-9 1 0 0 1,3,5,7-Cyclooctatetraene
I.C-1
2097. 149331-19-1 0 1 0 Cyclononane, 1,1,4,4,7,7-hexamethyl- I.C-1
2098. 202-98-2 1 0 0 4H-Cyclopenta[def]chrysene {4,5-methylenechrysene}
I.E-6
2099. 126458-49-9 0 1 0 4H-Cyclopenta[3',4']cycloocta[1',2':1,5]cyclopent[1,2-b]oxiren-4-one, 1,2,2a,5,6,8,9,10,10a,10b-decahydro-2,6,10a-trimethyl-8-(1-methylethyl)-,
[2aS-(2aα,3aS*,6β,8β,10aβ,10bβ)]-
III-13
2100. 86154-08-7 0 1 0 4H-Cyclopenta[3',4']cycloocta[1',2':1,5]cyclopent[1,2-b]oxiren-4-one, 1,2,2a,7,7a,8,9,10,10a,10b-decahydro-2a,6,10a-trimethyl-8-(1-methylethyl)-,
(2aα,3aR*,7aβ,8β,10aβ,10bβ)-
III-13
2101. 142750-43-4 0 1 0 Cyclopentacycloundecene, tetradecahydro-1,4,8-trimethyl-11-(1-methylethyl)-
I.C-1
2102. 142750-40-1 0 1 0 4,10(1H,5H)-Cyclopentacycloundecenedione, 2,3,3a,6,7,11,12,12a-octahydro-1,3,12-trihydroxy-3,8,12-trimethyl-5-(1-methylethyl)-, (1R*,3S*,3aR*,5S*,8Z,12R*,12aR*)-(-)-
III-13
2103. 541-91-3 0 1 0 Cyclopentadecanone, 3-methyl- III-13
2104. 542-92-7 1 0 0 1,3-Cyclopentadiene {pyropentylene}
I.C-1
2105. 1 0 0 1,3-Cyclopentadiene, dimethyl- I.C-1
2106. 26519-92-6 1 0 0 1,3-Cyclopentadiene, ethyl- I.C-1
2107. 26519-91-5 1 0 0 1,3-Cyclopentadiene, methyl- I.C-1
2108. 33320-27-3 1 0 0 1,3-Cyclopentadiene-1-carboxaldehyde III-12
2109. 4784-86-5 1 0 0 1,3-Cyclopentadiene, 1,2-dimethyl- I.C-1
2110. 4045-53-8 1 0 0 1,3-Cyclopentadiene, 1,3-dimethyl- I.C-1
2111. 96-39-9 1 0 0 1,3-Cyclopentadiene, 1-methyl- I.C-1
2112. 96-38-8 1 0 0 1,3-Cyclopentadiene, 5-methyl- I.C-1
2113. 497-20-1 1 0 0 1,3-Cyclopentadiene, 5-methylene- {fulvene} I.C-1
2114. 1 0 0 2,4-Cyclopentadien-1-one, 2,3-dimethyl-4-hydroxy- II.A-5, III-13
2115. 94618-71-0 1 0 0 2,4-Cyclopentadien-1-one, 2-methyl- III-13
83
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2116. 193-54-4 1 0 0 Cyclopenta[cd]fluoranthene
I.E-6
2117. 0 1 0 Cyclopenta[b]furan, 3-acetyl-4-pentyl-
O
COCH3C5H11
III-13, X-2
2118. 1 1 1 Cyclopenta[b]furan-6-one, 4,5-dihydro-2-methyl-
O
O
CH3
III-13, X-2
2119. 1162-65-8 0 1 0 Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)- {aflatoxin B1}
OCH3
O
OO
O
O
III-13, VI-3, X-2
2120. 7220-81-7 0 1 0 Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-4-methoxy-, (6aR-cis)- {aflatoxin B2}
III-13, VI-3, X-2
2121. 287-92-3 1 0 0 Cyclopentane {pentamethylene} I.C-1
2122. 2452-99-5 1 0 0 Cyclopentane, 1,2-dimethyl-, cis- I.C-1
2123. 822-50-4 1 0 0 Cyclopentane, 1,2-dimethyl-, trans- I.C-1
2124. 96-37-7 1 0 0 Cyclopentane, methyl- I.C-1
2125. 53366-54-4 1 0 0 Cyclopentane, (2-methylbutylidene)- I.C-1
2126. 53366-58-8 1 0 0 Cyclopentane, (2-methylpropylidene)- I.C-1
2127. 79637-61-9 1 0 0 Cyclopentane, propenyl- I.C-1
2128. 1 0 0 Cyclopentane, propyl- I.C-1
2129. 30498-64-7 1 0 0 Cyclopentane, trimethyl- I.C-1
2130. 20497-93-2 0 1 0 Cyclopentanecarboxaldehyde, 2-hydroxy-1-methyl-
{2 isomers}
III-12
2131. 3400-45-1 0 1 0 Cyclopentanecarboxylic acid
{cyclopentanoic acid}
IV.A-3
2132. 38655-27-5 0 1 0 Cyclopentanecarboxylic acid, 1-methyl-3-(1-methylethenyl)-
IV.A-3
2133. 66016-71-5 0 1 0 1,2-Cyclopentanedicarboxylic acid, 1-methyl-3-(1-methylethyl)-
IV.A-3
2134. 28473-29-2 1 0 0 Cyclopentanedione {2 isomers} III-13
2135. 3008-40-0 1 1 1 1,2-Cyclopentanedione III-13
2136. 0 1 0 1,2-Cyclopentanedione, 4-acetyl- III-13
2137. 1 0 0 1,2-Cyclopentanedione, 3,4-diethyl- III-13
2138. 54362-49-1 1 0 0 1,2-Cyclopentanedione, 3,5-diethyl- III-13
2139. 72692-92-3 1 1 1 1,2-Cyclopentanedione, 3,3-dimethyl- III-13
2140. 13494-06-9 1 1 1 1,2-Cyclopentanedione, 3,4-dimethyl- III-13
2141. 13494-07-0 1 1 1 1,2-Cyclopentanedione, 3,5-dimethyl- III-13
84
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2142. 13494-08-1 1 0 0 1,2-Cyclopentanedione, 3-ethyl- III-13
2143. 1 0 0 1,2-Cyclopentanedione, 3-ethyl-3-methyl- III-13
2144. 1 0 0 1,2-Cyclopentanedione, 3-ethyl-4-methyl- III-13
2145. 71608-11-2 1 0 0 1,2-Cyclopentanedione, 3-ethyl-5-methyl- = 1,2-Cyclopentanedione, 5-ethyl-3-methyl-
III-13
2146. 1 0 0 1,2-Cyclopentanedione, hydroxy- II.A-5, III-13
2147. 765-70-8 1 1 1 1,2-Cyclopentanedione, 3-methyl- {cyclotene} III-13
2148. 60386-55-2 1 0 0 1,2-Cyclopentanedione, 3-(1-methylethyl)- III-13
2149. 72693-09-5 1 0 0 1,2-Cyclopentanedione, 4-(1-methylethyl)- III-13
2150. 71608-12-3 1 0 0 1,2-Cyclopentanedione, 3-methyl-5-propyl- III-13
2151. 69745-71-7 1 0 0 1,2-Cyclopentanedione, 3-phenyl- III-13
2152. 4542-64-7 1 0 0 1,2-Cyclopentanedione, 4-phenyl- III-13
2153. 23747-37-7 1 0 0 1,2-Cyclopentanedione, 3-propyl- III-13
2154. 3859-41-4 0 1 0 1,3-Cyclopentanedione III-13
2155. 34598-80-6 1 0 0 1,3-Cyclopentanedione, 2,4-dimethyl- III-13
2156. 823-36-9 1 0 0 1,3-Cyclopentanedione, 2-ethyl- III-13
2157. 765-69-5 1 0 0 1,3-Cyclopentanedione, 2-methyl- III-13
2158. 120-92-3 1 1 1 Cyclopentanone {adipic ketone} III-13
2159. 55713-44-5 0 1 0 Cyclopentanone, 2,2-dimethyl-4-(2-oxopropyl)- III-13
2160. 4041-09-2 1 0 0 Cyclopentanone, 2,5-dimethyl- III-13
2161. 4971-18-0 1 0 0 Cyclopentanone, 2-ethyl- III-13
2162. 10264-55-8 1 0 0 Cyclopentanone, 3-ethyl- III-13
2163. 1 0 0 Cyclopentanone, 2-ethylidene- III-13
2164. 1 0 0 Cyclopentanone, 2-hydroxy- III-13
2165. 28631-88-1 1 0 0 Cyclopentanone, methyl- III-13
2166. 1120-72-5 1 0 0 Cyclopentanone, 2-methyl- III-13
2167. 1 0 0 Cyclopentanone, 2-(1-methylpropyl)- III-13
2168. 1757-42-2 1 0 0 Cyclopentanone, 3-methyl- III-13
2169. 189-01-5 1 0 0 Cyclopenta[cd]perylene
I.E-6
2170. 1 0 0 Cyclopenta[cd]perylene, methyl- I.E-6
2171. 211-95-0 1 0 0 Cyclopenta[a]phenalene
I.E-6
2172. 1 0 0 Cyclopentaphenanthrene {at least 2 isomers in MSS}
I.E-6
2173. 1 0 0 Cyclopentaphenanthrene, methyl- {at least 2 isomers in MSS}
I.E-6
85
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2174. 219-07-8 1 0 0 15H-Cyclopenta[a]phenanthrene
I.E-6
2175. 482-66-6 1 0 0 15H-Cyclopenta[a]phenanthrene, 16,17-dihydro- I.E-6
2176. 219-08-9 1 0 0 17H-Cyclopenta[a]phenanthrene
I.E-6
2177. 71277-92-4 1 0 0 17H-Cyclopenta[a]phenanthrene, ethyl- I.E-6
2178. 71277-93-5 1 0 0 17H-Cyclopenta[a]phenanthrene, methyl- I.E-6
2179. 203-64-5 1 0 0 4H-Cyclopenta[def]phenanthrene
{4,5-methylenephenanthrene}
I.E-6
2180. 71277-91-3 1 0 0 4H-Cyclopenta[def]phenanthrene, dimethyl- I.E-6
2181. 65319-51-9 1 0 0 4H-Cyclopenta[def]phenanthrene, ethyl- I.E-6
2182. 58548-39-3 1 0 0 4H-Cyclopenta[def]phenanthrene, methyl- I.E-6
2183. 1 0 0 Cyclopenta[l]phenanthrene, dihydro-
I.E-6
2184. 25042-83-5 1 0 0 5H-Cyclopentapyrazine N
N1
2
3
45
6
7
XVII.E-6
2185. 38917-63-4 1 0 0 5H-Cyclopentapyrazine, 6,7-dihydro-2,3-dimethyl- XVII.E-6
2186. 1 0 0 5H-Cyclopentapyrazine, 6,7-dihydro-5,7-dimethyl- XVII.E-6
2187. 38917-60-1 1 0 0 5H-Cyclopentapyrazine, 6,7-dihydro-2-ethyl- XVII.E-6
2188. 23747-46-8 1 1 1 5H-Cyclopentapyrazine, 6,7-dihydro-2-methyl- XVII.E-6
2189. 23747-48-0 1 1 1 5H-Cyclopentapyrazine, 6,7-dihydro-5-methyl- XVII.E-6
2190. 61891-57-4 1 0 0 5H-Cyclopentapyrazine, dimethyl- XVII.E-6
2191. 42315-22-0 1 0 0 Cyclopenta[a]pyrene
I.E-6
2192. 1 0 0 Cyclopenta[a]pyrene, 3,4-dihydro-
{sometimes listed as 3,4-trimethylenepyrene}
I.E-6
2193. 1 0 0 Cyclopenta[a]pyrene, 3,4-dihydromethyl- I.E-6
2194. 27208-37-3 1 0 0 Cyclopenta[cd]pyrene
I.E-6
86
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2195. 25732-74-5 1 0 0 Cyclopenta[cd]pyrene, 3,4-dihydro- I.E-6
2196. 64760-18-5 1 0 0 Cyclopenta[cd]pyrene, 3,4-dihydromethyl- I.E-6
2197. 23992-32-7 1 0 0 4H-Cyclopenta[def]triphenylene {4,5-methylenetriphenylene}
I.E-6
2198. 142-29-0 1 0 0 Cyclopentene
I.C-1
2199. 0 1 0 Cyclopentene, 2-acetyl-4-hydroxy-4-(1-methylethyl)- II.A-5, III-13
2200. 0 1 0 Cyclopentene, 2,3-diacetyl-1-(1-methylethyl)- H3C CH3
CO-CH3
CO-CH3
12
34
III-13
2201. 0 1 0 Cyclopentene, 2,3-diacetyl-4-(1-methylethyl)- H3C CH3
CO-CH3
CO-CH3
12
34
III-13
2202. 1 0 0 Cyclopentene, ethenyl- I.C-1
2203. 28638-58-6 1 0 0 Cyclopentene, 1-ethenyl- I.C-1
2204. 1 0 0 Cyclopentene, ethyl- I.C-1
2205. 2146-38-5 1 0 0 Cyclopentene, 1-ethyl- I.C-1
2206. 693-89-0 1 0 0 Cyclopentene, 1-methyl- I.C-1
2207. 1120-62-3 1 0 0 Cyclopentene, 3-methyl- I.C-1
2208. 1759-81-5 1 0 0 Cyclopentene, 4-methyl- I.C-1
2209. 3074-61-1 1 0 0 Cyclopentene, 1-propyl- I.C-1
2210. 56169-12-1 0 1 0 1-Cyclopentene-1-carboxylic acid, 2-methyl-5-(1-methylethyl)-
COOHCH3
CH3
H3C
IV.A-3
2211. 28750-51-8 1 0 0 3-Cyclopentene-1,2-dione III-13
2212. 1 0 0 3-Cyclopentene-1,2-dione, 3,4-dimethyl- III-13
2213. 2687-69-6 1 0 0 3-Cyclopentene-1,2-dione, 3,5-dimethyl- III-13
2214. 1 0 0 3-Cyclopentene-1,2-dione, 3-ethyl-4-methyl- III-13
2215. 10130-95-7 1 0 0 3-Cyclopentene-1,2-dione, 3-methyl- III-13
2216. 66309-79-3 1 0 0 3-Cyclopentene-1,2-dione, 4-methyl- III-13
2217. 930-60-9 0 1 0 4-Cyclopentene-1,3-dione III-13
2218. 18515-43-0 1 0 0 4-Cyclopentene-1,3-dione, 4,5-dimethyl- III-13
2219. 53109-18-5 0 1 0 1-Cyclopentene-1-pentanoic acid, δ-hydroxy-3,5-
bis(1-methylpropyl)-β-oxo-
III-13
2220. 28982-58-3 1 0 0 Cyclopentenone III-13
2221. 930-30-3 1 0 0 2-Cyclopenten-1-one {cyclopenten-3-one} III-13
2222. 24105-07-5 1 0 0 2-Cyclopenten-1-one, C3-alkyl- III-13
87
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2223. 1 0 0 2-Cyclopenten-1-one, C4-alkyl- III-13
2224. 72692-71-8 1 0 0 2-Cyclopenten-1-one, dimethyl- III-13
2225. 61205-39-8 1 0 0 2-Cyclopenten-1-one, ethyl-2-hydroxy- II.A-5, III-13
2226. 21835-01-8 1 0 0 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy- II.A-5, III-13
2227. 1 0 0 2-Cyclopenten-1-one, ethyl-methyl- III-13
2228. 1 0 0 2-Cyclopenten-1-one, methyl- III-13
2229. 1 0 0 2-Cyclopenten-1-one, phenyl- III-13
2230. 1 0 0 2-Cyclopenten-1-one, trimethyl- III-13
2231. 17190-74-8 0 1 0 2-Cyclopenten-1-one, 2-(2-butenyl)-4-hydroxy-3-methyl-
II.A-5, III-13
2232. 78210-65-8 1 0 0 2-Cyclopenten-1-one, 2-(2-furanyl)- III-13, X-2
2233. 61892-84-0 1 0 0 2-Cyclopenten-1-one, 2-(2-oxopropyl)- III-13
2234. 80-72-8 1 0 0 2-Cyclopenten-1-one, 2,3-dihydroxy- {reductic acid} OHO
OH
II.A-5, III-13
2235. 1121-05-7 1 1 1 2-Cyclopenten-1-one, 2,3-dimethyl- III-13
2236. 3779-64-4 1 0 0 2-Cyclopenten-1-one, 2,3-dimethyl-4-(1-methylethyl)-
III-13
2237. 61893-14-9 0 1 0 2-Cyclopenten-1-one, 2,3-dimethyl-5-(1-methylethyl)-
III-13
2238. 28790-86-5 1 0 0 2-Cyclopenten-1-one, 2,3,4-trimethyl- III-13
2239. 5456-24-5 1 0 0 2-Cyclopenten-1-one, 2,3,5-trimethyl- III-13
2240. 66309-82-8 1 0 0 2-Cyclopenten-1-one, 2,4,5-trimethyl- III-13
2241. 23048-13-7 1 0 0 2-Cyclopenten-1-one, 2,4-dimethyl- III-13
2242. 4041-11-6 1 0 0 2-Cyclopenten-1-one, 2,5-dimethyl- III-13
2243. 2931-10-4 1 0 0 2-Cyclopenten-1-one, 2-ethyl- III-13
2244. 5682-72-4 1 0 0 2-Cyclopenten-1-one, 2-ethyl-3-methyl- III-13
2245. 78210-64-7 1 0 0 2-Cyclopenten-1-one, 2-ethyl-5-methyl- III-13
2246. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy- II.A-5, III-13
2247. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(1-butyl)- II.A-5, III-13
2248. 80-71-7 1 1 1 2-Cyclopenten-1-one, 2-hydroxy-3-methyl- {methylcyclopentenolone}
II.A-5, III-13
2249. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(2-methylbutyl)- II.A-5, III-13
2250. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(3-methylbutyl)- II.A-5, III-13
2251. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-4-(1-methylethyl)-
II.A-5, III-13
2252. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylethyl)- II.A-5, III-13
2253. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylpropyl)- II.A-5, III-13
2254. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(2-methylpropyl)- II.A-5, III-13
2255. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-4-propyl- II.A-5, III-13
2256. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-5-propyl- II.A-5, III-13
2257. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-4-methyl- II.A-5, III-13
2258. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-4-methyl-3-propyl- II.A-5, III-13
2259. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-pentyl- II.A-5, III-13
88
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2260. 25684-04-2 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-propyl- II.A-5, III-13
2261. 82147-26-0 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-4-propyl- II.A-5, III-13
2262. 61205-40-1 1 1 1 2-Cyclopenten-1-one, 2-hydroxypropyl- II.A-5, III-13
2263. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl- II.A-5, III-13
2264. 1 0 0 2-Cyclopenten-1-one, 2-methoxy- III-13, X-2
2265. 14189-85-6 1 0 0 2-Cyclopenten-1-one, 2-methoxy-3-methyl- III-13, X-2
2266. 1120-73-6 1 0 0 2-Cyclopenten-1-one, 2-methyl- III-13
2267. 5760-58-7 1 0 0 2-Cyclopenten-1-one, 2-methyl-3-propyl- III-13
2268. 61892-83-9 1 0 0 2-Cyclopenten-1-one, 2-methyl-4-(1-methylethyl)- III-13
2269. 31089-17-5 1 0 0 2-Cyclopenten-1-one, 2-methyl-5-(1-methylethyl)- III-13
2270. 66309-80-6 1 0 0 2-Cyclopenten-1-one, 2-methyl-5-methylene- III-13
2271. 24105-07-5 1 0 0 2-Cyclopenten-1-one, 2-propyl- III-13
2272. 1 0 0 2-Cyclopenten-1-one, 3-(2-furanyl)- III-13
2273. 1619-28-9 1 0 0 2-Cyclopenten-1-one, 3-(1-methylethyl)- III-13
2274. 1 0 0 2-Cyclopenten-1-one, 3,4-diethyl-2-hydroxy- II.A-5, III-13
2275. 30434-64-1 1 0 0 2-Cyclopenten-1-one, 3,4-dimethyl- III-13
2276. 1 0 0 2-Cyclopenten-1-one, 3,4-dimethyl-2-hydroxy- II.A-5, III-13
2277. 72692-76-3 0 1 0 2-Cyclopenten-1-one, 3,4-dimethyl-2-(1-methylethyl)-
III-13
2278. 1 0 0 2-Cyclopenten-1-one, 3,5-diethyl-2-hydroxy- II.A-5, III-13
2279. 931-22-6 1 1 1 2-Cyclopenten-1-one, 3,5-dimethyl- III-13
2280. 1 0 0 2-Cyclopenten-1-one, 3,5-dimethyl-2-4-ethyl-hydroxy-
II.A-5, III-13
2281. 1 0 0 2-Cyclopenten-1-one, 3,5-dimethyl-2-hydroxy- II.A-5, III-13
2282. 0 1 0 2-Cyclopenten-1-one, 3,5-dimethyl-2-(1-methylethyl)-
III-13
2283. 5682-69-9 1 0 0 2-Cyclopenten-1-one, 3-ethyl- III-13
2284. 21835-01-8 1 0 0 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy- {ethylcyclopentenolone}
II.A-5, III-13
2285. 1 0 0 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl- II.A-5, III-13
2286. 1 0 0 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-5-methyl- II.A-5, III-13
2287. 1 0 0 2-Cyclopenten-1-one, 3-ethyl-2-methoxy- III-13
2288. 41496-77-9 1 1 1 2-Cyclopenten-1-one, 3-ethyl-2-methyl- III-13
2289. 78210-63-6 1 0 0 2-Cyclopenten-1-one, 3-ethyl-4-hydroxy- III-13
2290. 1 0 0 2-Cyclopenten-1-one, 3-ethyl-4-methyl- III-13
2291. 1 0 0 2-Cyclopenten-1-one, 3-ethyl-5-methyl- III-13
2292. 5870-63-3 0 1 0 2-Cyclopenten-1-one, 3-hydroxy-2-methyl- II.A-5, III-13
2293. 2758-18-1 1 1 1 2-Cyclopenten-1-one, 3-methyl- III-13
2294. 3727-35-3 1 1 1 2-Cyclopenten-1-one, 3-methyl-2-(2-oxopropyl)- III-13
2295. 1 0 0 2-Cyclopenten-1-one, 3-methyl-2-(1,3-pentadienyl)- III-13
2296. 488-10-8 0 1 0 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)- III-13
2297. 1 0 0 2-Cyclopenten-1-one, 3-(2-oxopropyl)- III-13
2298. 3810-26-2 1 0 0 2-Cyclopenten-1-one, 3-phenyl- III-13
89
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2299. 35953-18-5 1 0 0 2-Cyclopenten-1-one, 3-propyl- III-13
2300. 30434-65-2 0 1 0 2-Cyclopenten-1-one, 3,4,4-trimethyl- III-13
2301. 1 0 0 2-Cyclopenten-1-one, 4-ethyl-2-hydroxy- II.A-5, III-13
2302. 1 0 0 2-Cyclopenten-1-one, 4-ethyl-2-hydroxy-3-methyl- II.A-5, III-13
2303. 71278-13-2 1 0 0 2-Cyclopenten-1-one, 4-ethyl-2-methyl- III-13
2304. 10288-24-1 1 0 0 2-Cyclopenten-1-one, 4-hydroxy-3-methyl- II.A-5, III-13
2305. 23415-96-7 1 0 0 2-Cyclopenten-1-one, 4-methyl- III-13
2306. 66309-81-7 1 0 0 2-Cyclopenten-1-one, 4-methyl-3-(1-propenyl)- III-13
2307. 1 0 0 2-Cyclopenten-1-one, 5-ethyl-2-hydroxy-3-methyl- II.A-5, III-13
2308. 70919-26-5 1 0 0 2-Cyclopenten-1-one, 5-hydroxy- II.A-5, III-13
2309. 70919-27-6 1 0 0 2-Cyclopenten-1-one, 5-hydroxy-3-methyl- II.A-5, III-13
2310. 14963-40-7 1 0 0 2-Cyclopenten-1-one, 5-methyl- III-13
2311. 14320-37-7 1 0 0 3-Cyclopenten-1-one III-13
2312. 0 1 0 3-Cyclopenten-1-one, 3-(1-methylethyl)- III-13
2313. 1630-94-0 1 0 0 Cyclopropane, 1,1-dimethyl- I.C-1
2314. 2511-95-7 1 0 0 Cyclopropane, 1,2-dimethyl- I.C-1
2315. 930-18-7 1 0 0 Cyclopropane, 1,2-dimethyl-, (Z)- I.C-1
2316. 2402-06-4 1 0 0 Cyclopropane, 1,2-dimethyl-, (E)- I.C-1
2317. 22059-21-8 0 1 0 Cyclopropanecarboxylic acid, 1-amino- IV.A-3, XII-2
2318. 91465-08-6 0 1 0 Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester {λ-Cyhalothrin®}
V-3, XI-1, XVIII.B-3, XXI-3
2319. 52315-07-8 0 1 0 Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester {Cypermethrin®} Cl
Cl
OO
CNO
H3C CH3
V-3, X-2, XI-1, XVIII.B-3, XXI-3
2320. 67375-30-8 0 1 0 Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester {α-Cypermethrin®}
V-3, X-2, XI-1, XVIII.B-3, XXI-3
2321. 121-29-9 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester {Pyrethrin II®}
V-3, XXI-3
2322. 7696-12-0 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1-cyclohexene-1,2-dicarboximido)methyl ester
{Tetramethrin®} O
O
CH3
H3C
CH3
O
O
NH3C
V-3, X-2, XXI-3
2323. 121-21-1 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester {Pyrethrin I®}
V-3, XVIII.B-3, XXI-3
2324. 10453-86-8 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, (5-phenylmethyl-3-furanyl)methyl ester {Resmethrin®}
XXI-3
90
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2325. 52918-63-5 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2-dibromoethenyl)-, cyano(3-phenoxyphenyl)methyl ester {Deltamethrin®} O
O
CNO
H3C CH3Br
Br
V-3, X-2, XI-1, XVIII.B-3, XXI-3
2326. 52645-53-1 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-dichloroethenyl-, (3-phenoxyphenyl)methyl ester {Permethrin®; Spartan®}
Cl
ClH3C CH3
O
O
O
V-3, X-2, XVIII.B-3, XXI-3
2327. 68359-37-5 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2-dichloroethenyl)-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester
{Cyfluthrin®} Cl
ClH3C CH3
O
O
O
F
CN
V-3, X-2, XI-1, XVIII.B-3, XXI-3
2328. 97-41-6 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester
V-3
2329. 5460-63-9 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, methyl ester
V-3
2330. 25402-06-6 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester {Cinerin I®}
XXI-3
2331. 4466-14-2 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester {Jasmolin 1®}
XXI-3
2332. 584-79-2 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, 2-(1-propenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one ester {Allethrin®}
O
OO
V-3, XXI-3
2333. 66841-25-6 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)-, cyano(3-phenoxyphenyl)methyl ester {Tralomethrin®}
XI-2, XXI-3
2334. 39515-41-8 1 1 1 Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl cyano(3-phenoxyphenyl)methyl ester
{Fenpropathrin®, Danitol®}
XI-2, XXI-3
2335. 82657-04-3 0 1 0 Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2-methyl[1,1'-biphenyl]-3-yl)methyl ester, (1R,3R)-rel- {Bifenthrin®, Biphenthrin®}
XXI-3
2336. 17219-23-7 0 1 0 Cyclopropanecarboxylic acid, 2,3-dimethyl- IV.A-3
2337. 32809-16-8 0 1 0 1,2-Cyclopropanedicarboximide, N (3,5-dichlorophenyl)-1,2-dimethyl-
{Procymidone®}
O
O
N
Cl
Cl
XVIII.B-3,
XXI-3
2338. 18383-59-0 0 1 0 Cyclopropanemethanol, 2,2-dimethyl-3-(2-methylpropenyl)- {chrysanthemyl alcohol} OH
II.A-5
91
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2339. 50906-50-8 0 1 0 9,19-Cyclostigmast-24(28)-en-3-ol, 4,14-dimethyl-,
(3β,4α,5α,24Z)-
II.B-2
2340. 89288-59-5 0 1 0 4,13-Cyclotetradecadiene-1,3-diol, 8-hydroperoxy-1,5-dimethyl-9-methylene-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8R*,12R*,13E)]-
H3C CH3
CH3
CH3
OH
OH
H2C
HOO
1
234
5
6
7
8
9
10
1112
13
II.A-5
2341. 89362-05-0 0 1 0 4,13-Cyclotetradecadiene-1,3-diol, 8-hydroperoxy-1,5-dimethyl-9-methylene-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,8S*,12S*,13E)]-
H3C CH3
OH
CH3
OHCH3
HOO
H2C
1
234
56
7
8
9
10
11
12
13
II.A-5
2342. 102734-57-6 0 1 0 5,10-Cyclotetradecadiene-1,2,7,9-tetrol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,2R*,5E,7S*,9R*,10E,12R*)]- 1
2
3
45
67
8
9
10
12
H3C CH3
OH
OH
OH
OH CH3
H3C CH3
II.A-5
2343. 89362-09-4 0 1 0 4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9-methylene-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,8S*,12S*,13E)]-
OH
OH
HO
1
23
45
6
7
8
9
10
11
12
13
14
II.A-5
2344. 91200-13-4 0 1 0 4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9-methylene-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8S*,12R*,13E)]-
OH
OH
HO
1
23
45
6
7
8
9
10
11
12
13
14
II.A-5
2345. 80802-00-2 0 1 0 4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9-methylene-12-(1-methylethyl)-
OH
OH
HO
1
23
45
6
7
8
9
10
11
12
13
14
II.A-5
2346. 91163-46-1 0 1 0 5,9-Cyclotetradecadiene-1,4,8-triol, 4,8-dimethyl-14-methylene-11-(1-methylethyl)-, [1S-(1R*,4R*,5E,8S*,9E,11R*)]-
CH3
OH
CH3
OH
H2C
HO
H3C
H3C
1
2
3
4
5
6
7
8
9
1011
12
13
14
II.A-5
2347. 90660-18-7 0 1 0 4,9-Cyclotetradecadien-1-one, 6,8-dihydroxy-4,8-dimethyl-14-methylene-11-(1-methylethyl)-, [6R-(4E,6R*,
II.A-5, III-13
2348. 119613-98-8 0 1 0 5,10-Cyclotetradecadien-1-one, 7,9-dihydroxy-7,11-dimethyl-4-(1-methylethyl)-, [4S-(4R*,5E,7R*,9S*,10E)]-
II.A-5, III-13
2349. 1786-12-5 0 1 0 Cyclotetradecane, 1,7,11-trimethyl-4-(1-methylethyl)-
CH3
CH3
H3C
H3C
CH3
1
2
34
5
6
7
8
9
1011
I.C-1
2350. 150405-76-8 0 1 0 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl- I.C-1
92
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2351. 101159-08-4 1 1 1 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)- {cembrene}
I.C-1
2352. 1898-13-1 0 1 0 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S- (E,Z,E,E)]-
I.C-1
2353. 0 1 0 1,3,6,11-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-
13
6
7
11 14
I.C-1
2354. 0 1 0 5,8,11,14-Cyclotetradecatetraene, 1.5.9-trimethyl-12-(1-methylethyl)-
1
58
9
1112
14
I.C-1
2355. 101159-07-3 0 1 0 1,4,7,10-Cyclotetradecatetraene, 1,7,11-trimethyl-4-(1-methylethenyl)-
I.C-1
2356. 39815-66-2 0 1 0 2,4,9,13-Cyclotetradecatetraen-1-ol, 3,9,13-trimethyl-6-(1-methylethyl)-
H3C CH3
CH3
6
13 1 2
34
57
89
10
11
12
OH
CH3H3C
II.A-5
2357. 57688-99-0
59284-87-6
1 0 0 2,6,11-Cyclotetradecatriene-1,5-diol, 1,5,11-trimethyl-8-(1-methylethyl)-
II.A-5
2358. 84367-90-8 1 1 1 2,6,11-Cyclotetradecatriene-1,5-diol, 1,5,11-trimethyl-8-(1-methylethyl)-, [1S-(1R*,2E,5R*,6E,8R*,11E)]-
OH
OH
1
2
3
4
5
678
9
10
11
123
13
14
II.A-5
2359. 84367-92-0 0 1 0 2,6,11-Cyclotetradecatriene-1,5-diol, 1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,2E,5S*,6E,8S*,11E)]-
II.A-5
2360. 89288-60-8 0 1 0 4,7,13-Cyclotetradecatriene-1,3-diol, 9-hydroperoxy-1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7E,9R*,12R*,13E)]-
H3C CH3
OH
CH3
H3C
HOO
CH3 OH
1
23
45
6
7
8
9
10
1112
13
II.A-5
2361. 89362-06-1 0 1 0 4,7,13-Cyclotetradecatriene-1,3-diol, 9-hydroperoxy-1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7E,9S*,12R*,13E)]-
H3C CH3
OH
CH3
OHCH3
H3C
HOO1
23
45
6
7
8
9
10
1112
13
II.A-5
2362. 89362-07-2 0 1 0 4,7,13-Cyclotetradecatriene-1,3-diol, 9-hydroperoxy-1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7E,9S*,12S*,13E)]-
CH3 OH
CH3
OHH3C
H3C CH3
1
23
4
56
7
8
9
10
1112
13HOO
II.A-5
93
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2363. 82003-46-1 0 1 0 4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7E,9R*,12R*,13E)]-
HO OH
OH
CH3
H3C CH3
CH3
CH3
1
23
45
6
7
8
9
10
11
12
13
II.A-5
2364. 89362-10-7 0 1 0 4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7E,9R*,12R*,13E)]-
HO OH
OH
CH3
H3C CH3
CH3
CH3
1
23
45
6
7
8
9
10
11
12
13
II.A-5
2365. 89362-11-8 0 1 0 4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7E,9R*,12R*,13E)]-
HO OH
OH
CH3
H3C CH3
CH3
CH3
1
23
45
6
7
8
9
10
11
12
13
II.A-5
2366. 91200-14-5 0 1 0 4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7E,9R*,12R*,13E)]-
HO OH
OH
CH3
H3C CH3
CH3
CH3
1
23
45
6
7
8
9
10
11
12
13
II.A-5
2367. 116348-80-2 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3S*,4E,8E,12S*,13E)]-
II.A-5
2368. 121916-90-3 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3R*,4E,8E,12S*,13E)]-
II.A-5
2369. 122620-36-4 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, (1R*,3R*,4E,8E,12S*,13E)-
(±)-
II.A-5
2370. 57605-80-8 1 1 1 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8E,12S*,13E)]-
H3C CH3
OH
CH3
OHCH3
H3C
1
234
56
7
8
9
10
1112
13
II.A-5
2371. 57605-81-9 1 1 1 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-1R*,3R*,4E,8E,12S*,13E)]-
H3C CH3
OH
CH3
OHCH3
H3C
1
234
56
7
8
9
10
1112
13
II.A-5
2372. 87554-04-9 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8E,12S*,13Z)]-
II.A-5
2373. 7220-78-2 1 1 1 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-
II.A-5
2374. 2043-08-1 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, 3-acetate, [1S-(1R*,3S*,4E,8E,12S*,13E)]-
II.A-5
2375. 146564-67-2 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 9-(hydroxymethyl)-1,5-dimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8Z,12R*,13E)]-
II.A-5
94
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2376. 1 1 1 4,8,13-Cyclotetradecatriene-1-ol-3-one,-1,5,9-trimethyl-12-(1-methylethyl)-,
II.A-5
2377. 149403-67-8 0 1 0 4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7S*,8E,12R*)]-
II.A-5
2378. 149403-68-9 0 1 0 4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7R*,8E,12R*)]-
II.A-5
2379. 149403-69-0 0 1 0 4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7R*,8E,12S*)]-
II.A-5
2380. 149403-70-3 0 1 0 4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7S*,8E,12S*)]-
II.A-5
2381. 149403-71-4 0 1 0 4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7S*,8Z,12S*)]-
II.A-5
2382. 146564-66-1 0 1 0 4,9,13-Cyclotetradecatriene-1,3,8-triol, 3,9,13-trimethyl-6-(1-methylethyl)-, [1R-(1R*,3R*,4E,6S*,8R*,9E,13E)]-
II.A-5
2383. 146609-95-2 0 1 0 4,9,13-Cyclotetradecatriene-1,3,8-triol, 3,9,13-trimethyl-6-(1-methylethyl)-, [1R-(1R*,3S*,4E,6S*,8R*,9E,13E)]-
II.A-5
2384. 60026-11-1 0 1 0 2,7,12-Cyclotetradecatrien-1-ol, 1,7-dimethyl-11-methylene-4-(1-methylethyl)-
Chem. Abstracts numbering
II.A-5
CH3
OH
CH2
H3C CH3
H3C
12
34
56
7
89
1011
1213
14
Chem. Abstracts numbering
2385. 87387-80-2 0 1 0 2,6,12-Cyclotetradecatrien-1-ol, 3,7,13-trimethyl-10-(1-methylethenyl)-
II.A-5
2386. 119864-28-7 0 1 0 2,7,10-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4-(1-methylethyl)-, [1R- (1R*,2E,4S*,7E,10E)]-
II.A-5
2387. 119944-62-6 0 1 0 2,7,10-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4-(1-methylethyl)-, [1S-(1R*,2E,4R*,7E,10E)]-
II.A-5
2388. 25269-17-4 1 1 1 2,7,11-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4-(1-methylethyl)-, [1R-(1R*,2E,4S*,7E,11E)]-
H3C CH3
CH3
H3C
CH3
OH1
2
34
6
7
8
9
10
5
1112
13
II.A-5
2389. 80126-41-6 0 1 0 2,7,11-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4-(1-methylethyl)-, [1S-(1R*,2E,4R*,7E,11E)]-
H3C CH3
CH3
H3C
CH3
OH1
2
34
6
7
8
9
10
5
1112
13
II.A-5
2390. 149312-90-3 0 1 0 2,6,11-Cyclotetradecatrien-1-one, 5,13-dihydroxy-3,7,13-trimethyl-10-(1-methylethyl)-, [5S-(2E,5R*,6E,10R*,11E,13R*)]-
II.A-5, III-13
95
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2391. 98064-74-5 0 1 0 2,5,11-Cyclotetradecatrien-1-one, 7,13-dihydroxy-3,7,13-trimethyl-10-(1- methylethyl)-, [7S-(2E,5E,7R*,10R*,11E,13R*)]-
II.A-5, III-13
2392. 149312-89-0 0 1 0 2,7,12-Cyclotetradecatrien-1-one, 9,11-dihydroxy-3,9,13-trimethyl-6-(1-methylethyl)-, [6S-(2E,6R*,7E,9R*,11S*,12E)]-
II.A-5, III-13
2393. 149403-72-5 0 1 0 2,7,12-Cyclotetradecatrien-1-one, 9,11-dihydroxy-3,9,13-trimethyl-6-(1-methylethyl)-, [6S-(2E,6R*,7E,9S*,11S*,12E)]-
II.A-5, III-13
2394. 41429-54-3 0 1 0 2,6,11-Cyclotetradecatrien-1-one, 13-hydroxy-3,7,13-trimethyl-10-(1-methylethyl)-
HO
O
12
34
5 6
78
91011
12
13
14
II.A-5
2395. 0 1 0 13-Cyclotetradecene-1,3,4,8-tetrol-1-methyl-5,9-dimethylene-12-(1-methylethyl)-
H3C CH3
OH
CH3
OH
OHCH2
HO
H2C
1
34
56
2
7
8
9
10
1112
13
II.A-5
2396. 0 1 0 1-Cyclotetradecen-1-one, 3,6,13-triol-3,13-dimethyl-7-methylene-10-(1-methylethyl)-
H3C CH3
CH3
OHH3C
O
H2C
HO1
23
4
56
7
8
910
11
12
13
OH
II.A-5, III-13
2397. 62376-15-2 1 0 0 Cycloundecane, 1,1,2-trimethyl- I.C-1
2398. 6753-98-6 0 1 0 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-
1
23
45
67
8
9
10
11
I.C-1
2399. 498-40-8 0 1 0 Cysteic acid HO-SO2-CH2-CH(NH2)-COOH
IV.B-7, XVIII.A-1
2400. 52-90-4 1 1 1 L-Cysteine
{propanoic acid, 2-amino-3-mercapto- (R)}
HS-CH2-CH(NH2)-COOH
IV.B-7, XVIII.A-1
2401. 636-58-8 0 1 0 L-Cysteine, N-L-γ-glutamyl- IV.B-7, XVIII.A-1
2402. 24645-67-8 0 1 0 Cystine {propanoic acid, 2-amino-3,3’-dithiobis-} {S-CH2-CH(NH2)-COOH}2
IV.B-7, XVIII.A-1
2403. 65-46-3 0 1 0 Cytidine
{2(1H)-pyrimidinone, 4-amino-1-β-
D-ribofuranosyl-}
II.A-5, X-2, XII-2, XVII.B-2
2404. 65-47-4 0 1 0 Cytidine 5'-(tetrahydrogen triphosphate) II.A-5, X-2, XII-2, XVII.B-2
2405. 63-37-6 0 1 0 5'-Cytidylic acid
O
OH OH
ON
NH2
N
OP
OH
OH
O
II.A-5, X-2, XII-2,
XVII.B-2
96
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2406. 9044-61-5 0 1 0 Cytochrome b 559 XXII-2
2407. 9035-46-5 0 1 0 Cytochrome c6 XXII-2
2408. 0 1 0 Cytochrome oxidase XXII-2
2409. 62168-75-6 0 1 0 Deacylase XXII-2
2410. 2363-88-4 0 1 0 2,4-Decadienal III-12
2411. 25152-84-5 1 1 1 2,4-Decadienal, (E,E)- III-12
2412. 63889-75-8 0 1 0 Decadienoic acid {sebacic acid} IV.A-3
2413. 59286-28-1 0 1 0 2,4-Decadienoic acid, 3-methyl-6-(1-methylethyl)-9-oxo-, (Z,E)-
III-13, IV.A-3
2414. 58315-84-7 0 1 0 2,4-Decadienoic acid, 3-methyl-6-(1-methylethyl)-9-oxo-, [S-(E,E)]-
III-13, IV.A-3
2415. 59262-52-1 0 1 0 2,7-Decadienoic acid, 3-methyl-6-(1-methylethyl)-9-oxo-, (E,E)-
III-13, IV.A-3
2416. 158815-70-4 0 1 0 4,9-Decadienoic acid, 3-hydroxy-3-methyl-6-(1-methylethyl)-9-(tetrahydro-5-oxo-2-furanyl)-
II.A-5, IV.A-3
2417. 160115-53-7 0 1 0 4,9-Decadienoic acid, 3-hydroxy-3-methyl-6-(1-methylethyl)-9-(tetrahydro-5-oxo-2-furanyl)-, methyl ester
II.A-5, V-3
2418. 112-31-2 1 1 1 Decanal {capraldehyde} H3C-(CH2)8-CH=O III-12
2419. 124-18-5 1 1 1 Decane H3C-(CH2)8-CH3 I.A-10
2420. 61193-21-3 1 0 0 Decane, methyl- C10H21-CH3 I.A-10
2421. 6975-98-0 0 1 0 Decane, 2-methyl- H3C-CH(CH3)-(CH2)7-CH3 I.A-10
2422. 13151-34-3 1 0 0 Decane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)6-CH3 I.A-10
2423. 13151-35-4 1 0 0 Decane, 5-methyl- H3C-(CH2)4-CH(CH3)-(CH2)3-CH3 I.A-10
2424. 111-20-6 1 1 1 Decanedioic acid HOOC-(CH2)8-COOH IV.A-3
2425. 110-40-7 0 1 0 Decanedioic acid, diethyl ester H5C2-OOC-(CH2)8-COO-C2H5 V-3
2426. 334-48-5 1 1 1 Decanoic acid {capric acid} H3C-(CH2)8-COOH IV.A-3, XXI-3
2427. 110-38-3 1 1 1 Decanoic acid, ethyl ester {ethyl caprate} H3C-(CH2)8-COO-C2H5 V-3
2428. 5601-60-5 0 1 0 Decanoic acid, 8-methyl- IV.A-3
2429. 110-42-9 0 1 0 Decanoic acid, methyl ester H3C-(CH2)8-COO-CH3 V-3
2430. 70898-23-6 1 1 1 Decanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester, (all-E)-
V-3
2431. 70898-24-7 0 1 0 Decanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-
V-3
2432. 112-30-1 1 1 1 1-Decanol {capric alcohol} H3C-(CH2)8-CH2OH II.A-5, XXI-3
2433. 693-54-9 1 1 1 2-Decanone {methyl octyl ketone} H3C-(CH2)7-CO-CH3 III-13
2434. 9027-22-9 0 1 0 Decarboxylase XXII-2
2435. 9036-20-8 0 1 0 Decarboxylase, adenosylmethionine XXII-2
2436. 9024-77-5 0 1 0 Decarboxylase, arginine XXII-2
2437. 9024-58-2 0 1 0 Decarboxylase, glutamate XXII-2
2438. 37259-67-9 0 1 0 Decarboxylase, glycine XXII-2
2439. 9024-60-6 0 1 0 Decarboxylase, ornithine XXII-2
2440. 9001-04-1 0 1 0 Decarboxylase, pyruvate XXII-2
2441. 9024-70-8 0 1 0 Decarboxylase, uroporphyrinogen XXII-2
97
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2442. 63892-04-6 0 1 0 2,7,9-Decatrienoic acid, 3,9-dimethyl-6-(1-methylethyl)-, (E,E)-
IV.A-3
2443. 2497-25-8 0 1 0 2-Decenal, (Z)- H3C-(CH2)6-CH=CH-CH=O III-12
2444. 3913-71-1 0 1 0 2-Decenal, (E)- III-12
2445. 872-05-9 1 1 1 1-Decene H2C=CH-(CH2)7-CH3 I.B-1
2446. 1 0 0 1-Decene, 5-methyl- H2C=CH-(CH2)2-CH(CH3)-(CH2)4-CH3 I.B-1
2447. 6816-17-7 0 1 0 2-Decene H3C-CH=CH-(CH2)6-CH3 I.B-1
2448. 26446-27-5 0 1 0 Decenoic acid {3 isomers detected} IV.A-3
2449. 60924-66-5 0 1 0 4-Decenoic acid, 3-hydroxy-3-methyl-6-(1-methylethyl)-9-oxo-
II.A-5, III-13, IV.A-3
2450. 129777-23-7 0 1 0 4-Decenoic acid, 3-hydroxy-3-methyl-6-(1-methylethyl)-9-oxo-, [R-[R*,S*-(E)]]-
II.A-5, III-13, IV.A-3
2451. 77288-98-3 0 1 0 6-Decen-2-one, 8,10-dihydroxy-8-methyl-5-(1-methylethyl)-
II.A-5, III-13, IV.A-3
2452. 9001-03-0 0 1 0 Dehydratase, carbonate XXII-2
2453. 9024-34-4 0 1 0 Dehydratase, threonine XXII-2
2454. 9035-82-9 0 1 0 Dehydrogenase XXII-2
2455. 9001-40-5 0 1 0 Dehydrogenase, glucose 6-phosphate XXII-2
2456. 9001-46-1 0 1 0 Dehydrogenase, glutamate XXII-2
2457. 9029-12-3 0 1 0 Dehydrogenase, glutamate (nicotinamide adenine dinucleotide (phosphate))
XXII-2
2458. 0 1 0 Dehydrogenase, glutamic acid XXII-2
2459. 9026-38-4 0 1 0 Dehydrogenase, glutathione (ascorbate) XXII-2
2460. 9001-50-7 0 1 0 Dehydrogenase, glyceraldehyde phosphate XXII-2
2461. 9028-13-1 0 1 0 Dehydrogenase, homoserine XXII-2
2462. 9001-58-5 0 1 0 Dehydrogenase, isocitrate XXII-2
2463. 9028-48-2 0 1 0 Dehydrogenase, isocitrate (nicotinamide adenine dinucleotide phosphate)
XXII-2
2464. 9001-64-3 0 1 0 Dehydrogenase, malate XXII-2
2465. 56941-16-3 0 1 0 Dehydrogenase, malate (decarboxylating) (nicotinamide adenine dinucleotide (phosphate))
XXII-2
2466. 37250-19-4 0 1 0 Dehydrogenase, malate (nicotinamide adenine dinucleotide phosphate)
XXII-2
2467. 9028-47-1 0 1 0 Dehydrogenase, malate (oxalacetate-decarboxylating) (nicotinamide adenine dinucleotide phosphate)
XXII-2
2468. 9029-14-5 0 1 0 Dehydrogenase, methylenetetrahydrofolate XXII-2
2469. 37256-31-8 0 1 0 Dehydrogenase, nicotine XXII-2
2470. 9001-82-5 0 1 0 Dehydrogenase, phosphogluconate XXII-2
2471. 9073-95-4 0 1 0 Dehydrogenase, phosphogluconate (decarboxylating)
XXII-2
2472. 9050-70-8 0 1 0 Dehydrogenase, proline XXII-2
2473. 9028-28-8 0 1 0 Dehydrogenase, quinate XXII-2
2474. 9079-67-8 0 1 0 Dehydrogenase, reduced nicotinamide adenine dinucleotide
XXII-2
98
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2475. 9032-20-6 0 1 0 Dehydrogenase, reduced nicotinamide adenine dinucleotide (phosphate) (quinone)
XXII-2
2476. 37256-36-3 0 1 0 Dehydrogenase, reduced nicotinamide adenine dinucleotide (quinone)
XXII-2
2477. 37256-37-4 0 1 0 Dehydrogenase, reduced nicotinamide adenine dinucleotide phosphate (quinone)
XXII-2
2478. 9001-68-7 0 1 0 Dehydrogenase, reduced nicotinamide adenine dinucleotide phosphate
XXII-2
2479. 9026-87-3 0 1 0 Dehydrogenase, shikimate XXII-2
2480. 9002-02-2 0 1 0 Dehydrogenase, succinate XXII-2
2481. 9054-84-6 0 1 0 Dehydrogenase, xanthine XXII-2
2482. 159844-35-6 0 1 0 Deoxyribonucleic acid (Arabidopsis thaliana clone TAY029 gene UbcAt3 ubiquitin-carrier enzyme E 2 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2483. 141712-74-5 0 1 0 Deoxyribonucleic acid (Arabidopsis thaliana strain Heynhold glycerol phosphate acyltransferase messenger RNA-complementary)
XXII-2
2484. 140812-74-4 0 1 0 Deoxyribonucleic acid (Nicotiana plumbaginifolia gene pma1 plus 5'- and 3'-flanking region fragment)
XXII-2
2485. 130061-32-4 0 1 0 Deoxyribonucleic acid (Nicotiana sylvestris clone NySS4 ribulose diphosphate carboxylase small subunit gene)
XXII-2
2486. 144997-82-0 0 1 0 Deoxyribonucleic acid (Nicotiana sylvestris clone yaDC12/yaDC17 gene psaDa protein D 2 messenger RNA-complementary)
XXII-2
2487. 155317-25-2 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum clone NeIF-4A11 protein formation initiation factor eIF 4A messenger RNA complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2488. 155317-10-5 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum clone NeIF-4A13 protein formation initiation factor eIF 4A messenger RNA complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2489. 155317-11-6 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum clone NeIF-4A14 protein formation initiation factor eIF 4A messenger RNA complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2490. 155317-12-7 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum clone NeIF-4A15 protein formation initiation factor eIF 4A messenger RNA complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2491. 155317-13-8 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum clone NeIF-4A6 protein formation initiation factor eIF 4A messenger RNA complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2492. 155317-14-9 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum clone NeIF-4A7 protein formation initiation factor eIF 4A messenger RNA complementary plus 5'- and 3'-flanking region fragment)
XXII-2
99
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2493. 155317-15-0 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum clone NeIF-4A9 protein formation initiation factor eIF 4A messenger RNA complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2494. 160074-66-8 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum clone Ubi.U4 gene Ubi.U4 polyubiquitin plus 5' and 3' flanking region fragment)
XXII-2
2495. 160075-53-6 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum cv. SR1
leaf clone Ntfad3 ω-3 fatty acid desaturase mRNA-complementary plus 5' and 3' flanking region fragment)
XXII-2
2496. 131553-16-7 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum samsun 16.5-kilodalton protein messenger RNA-complementary)
XXII-2
2497. 131553-15-6 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum samsun chitinase isoenzyme messenger RNA-complementary)
XXII-2
2498. 143514-65-2 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum samsun clone NeIF-5A3 protein formation initiation factor eIF 5A isoform gene)
XXII-2
2499. 141093-81-4 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum samsun clone pMOG404 osmotin messenger RNA-complementary)
XXII-2
2500. 143638-33-9 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum samsun clone pTOL1 osmotin messenger RNA-complementary)
XXII-2
2501. 143341-52-0 0 1 0 Deoxyribonucleic acid (tobacco 1-109-extensin-like protein precursor-specifying)
XXII-2
2502. 152619-15-3 0 1 0 Deoxyribonucleic acid (tobacco chitinase acidic isoenzyme III messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2503. 152619-16-4 0 1 0 Deoxyribonucleic acid (tobacco chitinase basic isoenzyme III messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2504. 142978-98-1 0 1 0 Deoxyribonucleic acid (tobacco chloroplast clone L27-1 ribosome protein L 27 messenger RNA-complementary)
XXII-2
2505. 139872-58-5 0 1 0 Deoxyribonucleic acid (tobacco clone .lambda.5A gene RB7 plus 5'- and 3'-flanking region fragment)
XXII-2
2506. 139872-57-4 0 1 0 Deoxyribonucleic acid (tobacco clone .lambda.5A gene RB7)
XXII-2
2507. 128284-58-2 0 1 0 Deoxyribonucleic acid (tobacco clone .lambda.CHN17 chitinase basic isoenzyme gene)
XXII-2
2508. 156553-68-3 0 1 0 Deoxyribonucleic acid (tobacco clone 59 gene chi-V chitinase plus 5'- and 3'-flanking region fragment)
XXII-2
2509. 156553-69-4 0 1 0 Deoxyribonucleic acid (tobacco clone cA-3 gene chi-V chitinase messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2510. 155663-09-5 0 1 0 Deoxyribonucleic acid (tobacco clone cpb20-52 antifungal protein CPB 20 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2511. 124757-79-5 0 1 0 Deoxyribonucleic acid (tobacco clone E22 protein PR 5 gene)
XXII-2
100
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2512. 148757-18-0 0 1 0 Deoxyribonucleic acid (tobacco clone G27.1/G27.2 gene Npg1 plus 5'- and 3'-flanking region fragment)
XXII-2
2513. 158928-85-9 0 1 0 Deoxyribonucleic acid (tobacco clone lambda T-FLO 4 gene NFL2 exon 1 fragment)
XXII-2
2514. 158928-86-0 0 1 0 Deoxyribonucleic acid (tobacco clone lambda T-FLO 4 gene NFL2 exon 2 fragment)
XXII-2
2515. 158928-87-1 0 1 0 Deoxyribonucleic acid (tobacco clone lambda T-FLO 4 gene NFL2 exon 3 fragment)
XXII-2
2516. 145137-42-4 0 1 0 Deoxyribonucleic acid (tobacco clone NtDAHPS-1 phospho-2-keto-3-deoxyheptonate aldolase messenger RNA-complementary)
XXII-2
2517. 151876-45-8 0 1 0 Deoxyribonucleic acid (tobacco clone OMT3.4 catechol methyltransferase isoenzyme II messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2518. 128512-15-2 0 1 0 Deoxyribonucleic acid (tobacco clone pBSGlu39.1
endo-1,3-β-glucanase isoenzyme gene coding region)
XXII-2
2519. 128512-16-3 0 1 0 Deoxyribonucleic acid (tobacco clone pBSGlu39.3
endo-1,3-β-glucanase isoenzyme gene coding region)
XXII-2
2520. 147626-92-4 0 1 0 Deoxyribonucleic acid (tobacco clone pcGS2-17 glutamine synthetase isoenzyme 2 messenger RNA-complementary)
XXII-2
2521. 128512-19-6 0 1 0 Deoxyribonucleic acid (tobacco clone pGL31 endo-
1,3-β-glucanase isoenzyme messenger RNA-complementary)
XXII-2
2522. 128512-20-9 0 1 0 Deoxyribonucleic acid (tobacco clone pGL36 endo-
1,3-β-glucanase isoenzyme messenger RNA-complementary)
XXII-2
2523. 128512-21-0 0 1 0 Deoxyribonucleic acid (tobacco clone pGL43 endo-
1,3-β-glucanase isoenzyme messenger RNA-complementary)
XXII-2
2524. 103469-25-6 0 1 0 Deoxyribonucleic acid (tobacco clone PROB12 protein TL messenger RNA-complementary)
XXII-2
2525. 158928-82-6 0 1 0 Deoxyribonucleic acid (tobacco clone pTGF220 gene NFL1 exon 1 fragment)
XXII-2
2526. 158928-83-7 0 1 0 Deoxyribonucleic acid (tobacco clone pTGF220 gene NFL1 exon 2 fragment)
XXII-2
2527. 158928-84-8 0 1 0 Deoxyribonucleic acid (tobacco clone pTGF220 gene NFL1 exon 3 fragment)
XXII-2
2528. 141002-75-7 0 1 0 Deoxyribonucleic acid (tobacco clone pVK5 osmotin messenger RNA-complementary)
XXII-2
2529. 150001-42-6 0 1 0 Deoxyribonucleic acid (tobacco clone TSC81 ribosome protein L 17 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2530. 128512-25-4 0 1 0 Deoxyribonucleic acid (tobacco endo-1,3-β-glucanase isoenzyme messenger RNA-complementary)
XXII-2
2531. 143341-55-3 0 1 0 Deoxyribonucleic acid (tobacco extensin-like protein 107-amino acid fragment-specifying)
XXII-2
101
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2532. 143341-56-4 0 1 0 Deoxyribonucleic acid (tobacco extensin-like protein 81-amino acid fragment-specifying)
XXII-2
2533. 160936-44-7 0 1 0 Deoxyribonucleic acid (tobacco leaf curl virus coat protein gene)
XXII-2
2534. 141004-11-7 0 1 0 Deoxyribonucleic acid (tobacco ribosome protein L 2 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2535. 143513-68-2 0 1 0 Deoxyribonucleic acid (tobacco strain NK326 gene oee2-A plus 5'- and 3'-flanking region fragment)
XXII-2
2536. 143513-69-3 0 1 0 Deoxyribonucleic acid (tobacco strain NK326 gene oee2-A)
XXII-2
2537. 149309-58-0 0 1 0 Deoxyribonucleic acid (tobacco thioredoxin h2 gene plus 5'- and 3'-flanking region fragment)
XXII-2
2538. 140114-22-3 0 1 0 Deoxyribonucleic acid (tobacco thioredoxin messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2539. 141712-75-6 0 1 0 Deoxyribonucleic acid, (Arabidopsis thaliana strain Heynhold glycerol phosphate acyltransferase messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2540. 148037-15-4 0 1 0 Deoxyribonucleic acid, (Arabidopsis thaliana thioredoxin h messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2541. 147533-09-3 0 1 0 Deoxyribonucleic acid, (Nicotiana alata clone NaPRP3g12 proline-rich protein PRP 3 gene plus 5'- and 3'-flanking region fragment)
XXII-2
2542. 139860-37-0 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-4A2 protein formation initiation factor eIF 4A messenger RNA-complementary plus 5'-and 3'-flanking region fragment)
XXII-2
2543. 146150-24-5 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-4A2 protein formation initiation factor eIF 4A messenger RNA-complementary)
XXII-2
2544. 140095-89-2 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-4A3 protein formation initiation factor eIF 4A messenger RNA-complementary plus 5'-and 3'-flanking region fragment)
XXII-2
2545. 146150-26-7 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-4A3 protein formation initiation factor eIF 4A messenger RNA-complementary)
XXII-2
2546. 140360-04-9 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-5A2 protein formation initiation factor eIF 5A isoform messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2547. 143514-64-1 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-5A2 protein formation initiation factor eIF 5A isoform messenger RNA-complementary)
XXII-2
2548. 141374-52-9 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone pSOD3 copper-zinc superoxide dismutase messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2549. 143348-77-0 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone pSOD3 copper-zinc superoxide dismutase messenger RNA-complementary)
XXII-2
102
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2550. 144997-81-9 0 1 0 Deoxyribonucleic acid, (Nicotiana sylvestris clone yaDC12/yaDC17 gene psaDa protein D 2 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2551. 140110-39-0 0 1 0 Deoxyribonucleic acid, (Nicotiana tabacum samsun clone NeIF-5A3 protein formation initiation factor eIF 5A isoform gene plus 5'- and 3'-flanking region fragment)
XXII-2
2552. 141093-82-5 0 1 0 Deoxyribonucleic acid, (Nicotiana tabacum samsun clone pMOG404 osmotin messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2553. 141093-84-7 0 1 0 Deoxyribonucleic acid, (Nicotiana tabacum samsun clone pMOG4041-226-osmotin-specifying plus 5'- and 3'-flanking region fragment)
XXII-2
2554. 142978-99-2 0 1 0 Deoxyribonucleic acid, (tobacco chloroplast clone L27-1 ribosome protein L 27 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2555. 145093-14-7 0 1 0 Deoxyribonucleic acid, (tobacco clone EPSPS-1 5-enolpyruvoylshikimate 3-phosphate synthase messenger RNA-complementary plus 5'- and 3-flanking region fragment)
XXII-2
2556. 139837-73-3 0 1 0 Deoxyribonucleic acid, (tobacco clone NtDAHPS-1 phospho-2-keto-3-deoxyheptonate aldolase messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2557. 128512-17-4 0 1 0 Deoxyribonucleic acid, (tobacco clone pBSGlu39.1
endo-1,3-β-glucanase isoenzyme gene coding region plus 5'- and 3'-flanking region fragment)
XXII-2
2558. 128512-18-5 0 1 0 Deoxyribonucleic acid, (tobacco clone
pBSGlu39.3endo-1,3-β-glucanase isoenzyme gene coding region plus 5'- and 3'-flanking region fragment)
XXII-2
2559. 145735-56-4 0 1 0 Deoxyribonucleic acid, (tobacco clone pcGS2-17 glutamine synthetase isoenzyme 2 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2560. 128512-22-1 0 1 0 Deoxyribonucleic acid, (tobacco clone pGL31 endo-
1,3-β- glucanase isoenzyme messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2561. 128512-23-2 0 1 0 Deoxyribonucleic acid, (tobacco clone pGL36 endo-
1,3-β-glucanase isoenzyme messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2562. 128512-24-3 0 1 0 Deoxyribonucleic acid, (tobacco clone pGL43 endo-
1,3-β-glucanase isoenzyme messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2563. 143341-58-6 0 1 0 Deoxyribonucleic acid, (tobacco clone pMG15 extensin-like protein messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
103
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2564. 128512-26-5 0 1 0 Deoxyribonucleic acid, (tobacco endo-1,3-β-glucanase isoenzyme messenger RNA-complementary plus 5'- and 3'-flanking region fragment)
XXII-2
2565. 143341-53-1 0 1 0 Deoxyribonucleic acid, (tobacco extensin-like protein 171-amino acid C-terminal fragment-specifying plus 3'-flanking region fragment)
XXII-2
2566. 143341-54-2 0 1 0 Deoxyribonucleic acid, (tobacco extensin-like protein 264-amino acid C-terminal fragment-specifying plus 3'-flanking region fragment)
XXII-2
2567. 143341-57-5 0 1 0 Deoxyribonucleic acid, (tobacco extensin-like protein 393-amino acid C-terminal fragment-specifying plus 3'-flanking region fragment)
XXII-2
2568. 139637-37-9 0 1 0 Deoxyribonucleic acid, d(A-T-G-T-T-C-T-C-T-C-T-T-T-T-A-A-T-G-G-T-G-G-T-T-C-T-T-T-A-G)
XXII-2
2569. 152789-83-8 0 1 0 Deoxyribonucleic acid, d(C-A-T-C-A-C-G-T-G-A-G-A-T-A-A-G-A-G-C-C-G-C-C-A), double-stranded complementary
XXII-2
2570. 152789-84-9 0 1 0 Deoxyribonucleic acid, d(T-A-A-A-G-T-C-A-A-A-G-A-A-T-T-T-C-A-A-T-G-T-C-A-C-A), double-stranded complementary
XXII-2
2571. 67880-95-9 0 1 0 Desaturase, fatty acid ω3- XXII-2
2572. 159965-67-0 0 1 0 Desaturase, fatty acid ω3- (tobacco clone Ntfad3) XXII-2
2573. 107544-21-8 0 1 0 Desaturase, phytoene XXII-2
2574. 9004-53-9 0 1 0 Dextrin II.A-5, VIII-3
2575. 37340-89-9 0 1 0 Diaphorase XXII-2
2576. 5385-75-1 1 0 0 Dibenz[a,e]aceanthrylene
{dibenzo[a,e]fluoranthene}
I.E-6
2577. 189-75-3 1 0 0 Dibenz[j,mno]aceanthrylene I.E-6
2578. 71630-69-8 1 0 0 Dibenz[j,mno]aceanthrylene, methyl- I.E-6
2579. 226-36-8 1 0 0 Dibenz[a,h]acridine XVII.E-6
2580. 226-92-6 1 0 0 Dibenz[a,i]acridine XVII.E-6
2581. 224-42-0 1 0 0 Dibenz[a,j]acridine
XVII.E-6
2582. 224-53-3 1 0 0 Dibenz[c,h]acridine
XVII.E-6
2583. 67775-07-9 1 0 0 Dibenzanthracene I.E-6
2584. 53-70-3
1 0 0 Dibenz[a,h]anthracene {DB[a,h]A}
I.E-6
104
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2585. 224-41-9 1 0 0 Dibenz[a,j]anthracene
I.E-6
2586. 4607-33-4 1 0 0 Dibenzo[b,h][1]benzopyrano[2,3,4-de][1,6]naphthyridine
XVII.E-8
2587. 34442-52-9 1 0 0 1H-Dibenzo[a,c]carbazole
NH
a
cfg
h
i
XVII.E-6
2588. 207-84-1 1 1 1 7H-Dibenzo[a,g]carbazole XVII.E-6
2589. 239-64-5 1 0 0 13H-Dibenzo[a,i]carbazole
NH
a
cfg
h
i
XVII.E-6
2590. 194-59-2 1 0 0 7H-Dibenzo[c,g]carbazole
NH
a
cfg
h
i
XVII.E-6
2591. 28641-62-5 1 0 0 5H-Dibenzo[c,g]carbazole XVII.E-6
2592. 189-64-0 1 0 0 Dibenzo[b,def]chrysene {dibenzo[a,h]pyrene}
I.E-6
2593. 191-26-4 1 0 0 Dibenzo[def,mno]chrysene {anthanthrene}
I.E-6
2594. 64760-24-3 1 0 0 Dibenzo[def,mno]chrysene, dimethyl- {at least 2 isomers in MSS}
I.E-6
2595. 41699-10-9 1 0 0 Dibenzo[def,mno]chrysene, methyl- {at least 2, possibly 3, isomers in MSS}
I.E-6
2596. 1 0 0 Dibenzo[def,mno]chrysene, 6-methyl- I.E-6
2597. 191-30-0 1 0 0 Dibenzo[def,p]chrysene {dibenzo[a,l]pyrene}
I.E-6
2598. 191-68-4 1 0 0 Dibenzo[g,p]chrysene
I.E-6
2599. 1210-35-1 1 0 0 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro- III-13
105
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2600. 262-12-4 1 0 0 Dibenzo[b,e][1,4]dioxin O
O
1
2
3
45
6
7
8
X-2
2601. 1 0 0 Dibenzo[b,e][1,4]dioxin, polychloro- X-2, XVIII.B-3
2602. 35822-46-9 1 1 1 Dibenzo[b,e][1,4]dioxin, 1,2,3,4,6,7,8-heptachloro- O
O
Cl
Cl
Cl
Cl
Cl
Cl
Cl
X-2, XVIII.B-3
2603. 1 0 0 Dibenzo[b,e][1,4]dioxin, 1,2,3,4,6,7,9-heptachloro- X-2, XVIII.B-3
2604. 39227-28-6 1 0 0 Dibenzo[b,e][1,4]dioxin, 1,2,3,4,7,8-hexachloro- X-2, XVIII.B-3
2605. 57653-85-7 1 0 0 Dibenzo[b,e][1,4]dioxin, 1,2,3,6,7,8-hexachloro- X-2, XVIII.B-3
2606. 19408-74-3 1 0 0 Dibenzo[b,e][1,4]dioxin, 1,2,3,7,8,9-hexachloro- X-2, XVIII.B-3
2607. 40321-76-4 1 0 0 Dibenzo[b,e][1,4]dioxin, 1,2,3,7,8-pentachloro- X-2, XVIII.B-3
2608. 1746-01-6 1 1 1 Dibenzo[b,e][1,4]dioxin, 2,3,7,8-tetrachloro- X-2, XVIII.B-3
2609. 37871-00-4 1 0 0 Dibenzo[b,e][1,4]dioxin, heptachloro- X-2, XVIII.B-3
2610. 34465-46-8 1 0 0 Dibenzo[b,e][1,4]dioxin, hexachloro- X-2, XVIII.B-3
2611. 3268-87-9 1 0 0 Dibenzo[b,e][1,4]dioxin, octachloro- X-2, XVIII.B-3
2612. 36088-22-9 1 0 0 Dibenzo[b,e][1,4]dioxin, pentachloro- X-2, XVIII.B-3
2613. 41903-57-5 1 0 0 Dibenzo[b,e][1,4]dioxin, tetrachloro- X-2, XVIII.B-3
2614. 60382-88-9 1 0 0 Dibenzofluoranthene {at least two isomers in MSS}
I.E-6
2615. 203-18-9 1 0 0 Dibenzo[j,l]fluoranthene
I.E-6
2616. 239-60-1 1 0 0 13H-Dibenzo[a,i]fluorene
I.E-6
2617. 132-64-9 1 1 1 Dibenzofuran {2,2’-biphenylene oxide}
O
12
3
4
X-2
2618. 1 0 0 Dibenzofuran, dimethyl- X-2
2619. 1 0 0 Dibenzofuran, methyl- X-2
2620. 1 0 0 Dibenzofuran, polychloro- {dioxins} X-2, XVIII.B-3
2621. 67562-39-4 1 1 1 Dibenzofuran, 1,2,3,4,6,7,8-heptachloro- X-2, XVIII.B-3
2622. 55673-89-7 1 0 0 Dibenzofuran, 1,2,3,4,7,8,9-heptachloro- X-2, XVIII.B-3
2623. 70648-26-9 1 0 0 Dibenzofuran, 1,2,3,4,7,8-hexachloro- X-2, XVIII.B-3
2624. 91538-84-0 1 0 0 Dibenzofuran, 1,2,3,4,7,9-hexachloro- X-2, XVIII.B-3
2625. 67517-48-0 1 0 0 Dibenzofuran, 1,2,3,4,8-pentachloro- X-2, XVIII.B-3
2626. 57117-44-9 1 0 0 Dibenzofuran, 1,2,3,6,7,8-hexachloro- X-2, XVIII.B-3
106
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2627. 72918-21-9 1 0 0 Dibenzofuran, 1,2,3,7,8,9-hexachloro- X-2, XVIII.B-3
2628. 57117-41-6 1 0 0 Dibenzofuran, 1,2,3,7,8-pentachloro- X-2, XVIII.B-3
2629. 7320-50-5 1 0 0 Dibenzofuran, 1-methyl- X-2
2630. 60851-34-5 1 0 0 Dibenzofuran, 2,3,4,6,7,8-hexachloro- X-2, XVIII.B-3
2631. 57117-31-4 1 0 0 Dibenzofuran, 2,3,4,7,8-pentachloro- X-2, XVIII.B-3
2632. 83704-32-9 1 0 0 Dibenzofuran, 2,3,4,8-tetrachloro- X-2, XVIII.B-3
2633. 51207-31-9 1 0 0 Dibenzofuran, 2,3,7,8-tetrachloro- X-2, XVIII.B-3
2634. 1 0 0 Dibenzofuran, 1-methyl- X-2
2635. 7320-51-6 1 0 0 Dibenzofuran, 2-methyl- X-2
2636. 7320-52-7 1 0 0 Dibenzofuran, 3-methyl- X-2
2637. 7320-53-8 1 0 0 Dibenzofuran, 4-methyl- X-2
2638. 9062-95-1 1 0 0 Dibenzofuran, dimethyl- X-2
2639. 38998-75-3 1 0 0 Dibenzofuran, heptachloro- X-2, XVIII.B-3
2640. 55684-94-1 1 0 0 Dibenzofuran, hexachloro- X-2, XVIII.B-3
2641. 60826-62-2 1 0 0 Dibenzofuran, methyl- X-2
2642. 39001-02-0 1 0 0 Dibenzofuran, octachloro- X-2, XVIII.B-3
2643. 30402-15-4 1 0 0 Dibenzofuran, pentachloro- X-2, XVIII.B-3
2644. 30402-14-3 1 0 0 Dibenzofuran, tetrachloro- X-2, XVIII.B-3
2645. 3693-22-9 1 0 0 2-Dibenzofuranamine
O
NH2
X-2, XII-2
2646. 4106-66-5 1 0 0 3-Dibenzofuranamine X-2, XII-2
2647. 216-00-2 1 0 0 Dibenzo[a,c]naphthacene
I.E-6
2648. 227-04-3 1 0 0 Dibenzo[a,j]naphthacene
I.E-6
2649. 193-09-9 1 0 0 Dibenzo[de,qr]naphthacene
{naphtho[2,3-d]pyrene}
I.E-6
2650. 192-51-8 1 0 0 Dibenzo[fg,op]naphthacene
{dibenzo[e,l]pyrene}
I.E-6
2651. 26894-49-5 0 1 0 6H-Dibenzo[b,d]pyran-6-one, 3,7(3,9 or 7,9)-dihydroxy-9(7 or 3)-methoxy-1-methyl-
O O
OCH3
OH
HO
VI-3, X-2,
IX.A-22
107
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2652. 29752-43-0 0 1 0 6H-Dibenzo[b,d]pyran-6-one, 9-methoxy-4a-methyl-
2,3,4,4a-tetrahydro-2,3,7-trihydroxy- (2α,3β,4aβ)-
O O
OH
CH3
HO
HO
OCH3
VI-3,
X-2, IX.A-22
2653. 641-38-3 0 1 0 6H-Dibenzo[b,d]pyran-6-one, 1-methyl-3,7,9-trihydroxy-
O O
OH
OH
HO
CH3
VI-3, IX.A-22
2654. 58615-36-4 1 0 0 Dibenzopyrene I.E-6
2655. 132-65-0 1 1 1 Dibenzothiophene XVIII.A-1
2656. 70021-47-5 0 1 0 Dibenzothiophene, dimethyl-
{at least four isomers detected}
XVIII.A-1
2657. 30995-64-3 1 1 1 Dibenzothiophene, methyl-
{at least four isomers detected}
XVIII.A-1
2658. 188-94-3 1 0 0 Diindeno[1,2,3-cd:1',2',3'-lm]perylene
I.E-6
2659. 309-00-2 1 1 1 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-,
(1α,4α,4aβ,5α,8α,8aβ)- [endo, endo] {Aldrin®} CCl2 CH2
Cl
Cl
Cl
Cl
XVIII.B-3,
XXI-3
2660. 465-73-6 0 1 0 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-,
(1α,4α,4aβ,5β,8β,8aβ)- [endo, exo] {Isodrin®}
XVIII.B-3,
, XXI-3
2661. 60-57-1 1 1 1 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-,
(1aα,2β,2aα,3β,6β,6aα,7β,7aα)- {Dieldrin®}
X-2,
XVIII.B-3,
XXI-3
2662. 72-20-8 1 1 1 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-,
(1aα,2β,2aβ,3α,6α,6aβ,7β,7aα)- {Endrin®}
X-2,
XVIII.B-3,
XXI-3
2663. 119973-29-4 1 0 0 26,27-Dinorergosta-3,5-diene I.C-1
2664. 119973-31-8 1 0 0 26,27-Dinorergosta-3,5,22-triene, (22E)- I.C-1
2665. 119973-30-7 1 0 0 26,27-Dinorergost-3-ene, (5α)- I.C-1
2666. 117210-53-4 0 1 0 2,7-Dioxabicyclo[2.2.1]heptane, 1,3-dimethyl-3-(4-methyl-3-pentenyl)-, endo-
X-2
2667. 117305-90-5 0 1 0 2,7-Dioxabicyclo[2.2.1]heptane, 1,3-dimethyl-3-(4-methyl-3-pentenyl)-, exo-
X-2
2668. 121927-15-9 0 1 0 13,14-Dioxabicyclo[10.2.2]hexadec-6-ene-2,3,5-triol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R-(1R*,2S*,3R*,5S*,
II.A-5, X-2
108
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2669. 52886-15-4 0 1 0 2,9-Dioxabicyclo[3.3.1]nonan-4-ol, 1,3,3-trimethyl-6-(1-methylethyl)- {2 isomers reported}
II.A-5, X-2
2670. 0 1 0 6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl- {frontalin}
X-2
2671. 58001-00-6 0 1 0 6,8-Dioxabicyclo[3.2.1]octane-7-methanol, 2-(1-
methylethyl)-α,5-dimethyl- [1α,2β,5α,7α(R*)] O
O
HO
CH3
CH3
CH3CH3
II.A-5, X-2
2672. 58001-10-8 0 1 0 6,8-Dioxabicyclo[3.2.1]octane-7-methanol, 2-(1-
methylethyl)-α,α,5-trimethyl-, (2-endo,7-exo)-(±)- O
O
HO
CH3
CH3
CH3CH3
H3C
II.A-5, X-2
2673. 52992-36-6 0 1 0 6,8-Dioxabicyclo[3.2.1]octane-7-methanol, 2-(1-
methylethyl)-α,α,5-trimethyl-
II.A-5, X-2
2674. 37112-31-5 1 1 1 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, (1S)- {levoglucosenone}
OO
O
III-13, X-2
2675. 16279-34-8 1 0 0 1,4-Dioxane, 2-methyl- X-2
2676. 162188-91-2 1 0 0 1,4-Dioxaspiro[4.5]decan-8-one, 7-(acetyloxy)-
7,9,9-trimethyl-, (±)-
O
OO
OOC-CH3
CH3H3C
H3C
1
2 3
4
56
78
9
III-13
2677. 41059-94-3 0 1 0 1,6-Dioxaspiro[4.5]dec-3-en-2-one, 3,4,7-trimethyl-
O
O
O
CH3
CH3
CH3
1
2 3
4
56
7
III-13
2678. 100-79-8 1 0 0 1,3-Dioxalane-4-methanol, 2,2-dimethyl- H3C
H3C
CH2OHO
O
II.A-5, X-2
2679. 96-49-1 1 0 0 1,3-Dioxalan-2-one {ethylene glycol carbonate} O
O
O
1
2
3
4
5
V-3
2680. 931-40-8 1 0 0 1,3-Dioxalan-2-one, 4-(hydroxymethyl)-
{glycerol carbonate}
V-3
2681. 108-32-7 1 1 1 1,3-Dioxalan-2-one, 4-methyl- {1,2-propylene glycol carbonate}
V-3
2682. 9025-33-6 0 1 0 Dipeptidase, prolyl XXII-2
2683. 1 0 0 Dipropoxymethane (C3H7O)2=CH2 X-2
2684. 67730-10-3 1 0 0 Dipyrido[1,2-a:3',2'-d]imidazol-2-amine {Glu-P-2} N
NH2
N
N
XVII.F-6
109
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2685. 67730-11-4 1 0 0 Dipyrido[1,2-a:3',2'-d]imidazol-2-amine, 6-methyl- {Glu-P-1}
NH2
CH3
N
N
N
XVII.F-6
2686. 484-73-1 1 0 0 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione {pyrocoll}
N
N
O
O
XVII.E-8
2687. 59017-02-6 1 0 0 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, 1,2,3,5a,8,10a-hexahydro-, (5aS-cis)-
XVII.E-8
2688. 1 0 0 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, 1,2,3,5a,8,10a-hexahydro-3-methyl-
XVII.E-8
2689. 71277-95-7 1 0 0 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, methyl-
XVII.E-8
2690. 6708-06-1 1 0 0 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, octahydro-
XVII.E-8
2691. 9054-89-1 0 1 0 Dismutase, superoxide XXII-2
2692. 143352-40-3 0 1 0 Dismutase, superoxide (Nicotiana plumbaginifolia clone pSOD3 copper-zinc protein moiety reduced)
XXII-2
2693. 5905-46-4 1 0 0 Disulfide, 1-propenyl propyl XVIII.A-1
2694. 110-81-6 1 0 0 Disulfide, diethyl H3C-CH2-S-CH2-CH3 XVIII.A-1
2695. 624-92-0 1 1 1 Disulfide, dimethyl H3C-S-S-CH3 XVIII.A-1
2696. 20333-39-5 1 0 0 Disulfide, ethyl methyl XVIII.A-1
2697. 5905-47-5 1 0 0 Disulfide, methyl 1-propenyl XVIII.A-1
2698. 2179-60-4 1 0 0 Disulfide, methyl propyl XVIII.A-1
2699. 21548-32-3 0 1 0 1,3-Dithietan-2-ylidenephosphoramidic acid, diethyl ester {Fosthietan®}
S
S
N P
OC2H5
OC2H5
O
XVIII.A-1,
XXI-3
2700. 947-02-4 0 1 0 Dithiolan-2-ylidenephosphoramidic acid, diethyl ester {Cyolane®; Phosfolan®}
S
S
N P OC2H5
OC2H5
O
XVIII.A-1,
XXI-3
2701. 2439-01-2 0 1 0 1,3-Dithiolo[4,5-b]quinoxalin-2-one, 6-methyl- {Quinomethionate®}
N S
O
N S
XVIII.A-1,
XXI-3
2702. 29564-66-7 0 1 0 Docosadienoic acid, (Z,Z)- IV.A-3
2703. 629-97-0 1 1 1 Docosane H3C-(CH2)20-CH3 I.A-10
2704. 1560-81-2 1 1 1 Docosane, 2-methyl- (H3C)=CH-(CH2)19-CH3 I.A-10
2705. 72227-00-0 1 1 1 Docosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)18-CH3 I.A-10
2706. 112-85-6 1 1 1 Docosanoic acid {behenic acid} H3C-(CH2)20-COOH IV.A-3
2707. 17671-27-1 1 1 1 Docosanoic acid, docosyl ester H3C-(CH2)20-COO-(CH2)21-CH3 V-3
2708. 42233-07-8 1 1 1 Docosanoic acid, dodecyl ester H3C-(CH2)20-COO-(CH2)11-CH3 V-3
2709. 42233-14-7 1 1 1 Docosanoic acid, eicosyl ester H3C-(CH2)20-COO-(CH2)19-CH3 V-3
2710. 5908-87-2 1 0 0 Docosanoic acid, ethyl ester H3C-(CH2)20-COO-CH2-CH3 V-3
2711. 42233-15-8 1 1 1 Docosanoic acid, heneicosyl ester H3C-(CH2)20-COO-(CH2)20-CH3 V-3
110
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2712. 121877-99-4 1 1 1 Docosanoic acid, heptacosyl ester H3C-(CH2)20-COO-(CH2)26-CH3 V-3
2713. 42233-12-5 1 1 1 Docosanoic acid, heptadecyl ester H3C-(CH2)20-COO-(CH2)16-CH3 V-3
2714. 55136-77-1 1 1 1 Docosanoic acid, hexacosyl ester H3C-(CH2)20-COO-(CH2)25-CH3 V-3
2715. 42233-11-4 1 1 1 Docosanoic acid, hexadecyl ester H3C-(CH2)20-COO-(CH2)15-CH3 V-3
2716. 42233-13-6 1 1 1 Docosanoic acid, nonadecyl ester H3C-(CH2)20-COO-(CH2)18-CH3 V-3
2717. 21511-31-9 1 1 1 Docosanoic acid, octacosyl ester H3C-(CH2)20-COO-(CH2)27-CH3 V-3
2718. 24271-12-3 1 1 1 Docosanoic acid, octadecyl ester H3C-(CH2)20-COO-(CH2)17-CH3 V-3
2719. 1 1 1 Docosanoic acid, pentacosyl ester H3C-(CH2)20-COO-(CH2)24-CH3 V-3
2720. 42233-10-3 1 1 1 Docosanoic acid, pentadecyl ester H3C-(CH2)20-COO-(CH2)14-CH3 V-3
2721. 42233-17-0 1 1 1 Docosanoic acid, tetracosyl ester H3C-(CH2)20-COO-(CH2)23-CH3 V-3
2722. 42233-09-0 1 1 1 Docosanoic acid, tetradecyl ester H3C-(CH2)20-COO-(CH2)13-CH3 V-3
2723. 1 0 0 Docosanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester
V-3
2724. 42233-16-9 1 1 1 Docosanoic acid, tricosyl ester H3C-(CH2)20-COO-(CH2)32-CH3 V-3
2725. 42233-08-9 1 1 1 Docosanoic acid, tridecyl ester H3C-(CH2)20-COO-(CH2)12-CH3 V-3
2726. 36332-95-3 0 1 0 Docosanoic acid, 20-methyl- H3C-CH2 CH(CH3)-(CH2)18-COOH IV.A-3
2727. 121877-76-7 1 1 1 Docosanoic acid, 20-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)18-COO-(CH2)21-CH3
V-3
2728. 121877-62-1 1 1 1 Docosanoic acid, 20-methyl-, eicosyl ester H3C-CH2-CH(CH3)-(CH2)18-COO-(CH2)19-CH3
V-3
2729. 121877-71-2 1 1 1 Docosanoic acid, 20-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)18-COO-(CH2)20-CH3
V-3
2730. 59708-74-6 0 1 0 Docosanoic acid, 21-methyl- (H3C)2=CH-(CH2)19-COOH IV.A-3
2731. 661-19-8 1 1 1 1-Docosanol {behenyl alcohol} H3C-(CH2)20-CH2OH II.A-5
2732. 0 1 0 1-Docosanol, 20-methyl- II.A-5
2733. 0 1 0 1-Docosanol, 21-methyl- II.A-5
2734. 1599-67-3 1 0 0 1-Docosene H3C-(CH2)19-CH=CH2 I.B-1
2735. 1 0 0 1-Docosene, 2-methyl- H2C=C(CH3)-(CH2)19-CH3 I.B-1
2736. 1 0 0 2-Docosene, (Z)- H3C-CH=CH-(CH2)18-CH3 I.B-1
2737. 1 0 0 2-Docosene, (E)- I.B-1
2738. 1 0 0 2-Docosene, 2-methyl- H3C-C(CH3)=CH-(CH2)18-CH3 I.B-1
2739. 1 0 0 2-Docosene, 20-methyl-, (Z)- H3C-CH=CH-(CH2)16-CH(CH3)-CH2-CH3 I.B-1
2740. 1 0 0 2-Docosene, 20-methyl-, (E)- I.B-1
2741. 1 0 0 2-Docosene, 21-methyl-, (Z)- H3C-CH=CH-(CH2)17-CH(CH3)2 I.B-1
2742. 1 0 0 2-Docosene, 21-methyl-, (E)- I.B-1
2743. 112-86-7 0 1 0 13-Docosenoic acid, (Z)- IV.A-3
2744. 65596-29-4 0 1 0 3,6-Dodecadienedioic acid, 10-hydroxy-4,9-dimethyl-
II.A-5, IV.A-3
2745. 40596-69-8 1 1 1 2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (E,E)-
{Methoprene®; Altoside®}
IV.A-3, XXI-3
2746. 0 1 0 2,4-Dodecadienoic acid, 3-methyl-6-(1-methylethyl)-9-oxo-
III-13, IV.A-3
111
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2747. 7226-86-0 1 0 0 2,6-Dodecadien-1-ol, 3,7,11-trimethyl- II.A-5
2748. 117232-64-1 0 1 0 5,10-Dodecadien-2-one, 9-hydroxy-6,11-dimethyl- II.A-5, III-13
2749. 112-40-3 1 1 1 Dodecane H3C-(CH2)10-CH3 I.A-10
2750. 1560-97-0 1 0 0 Dodecane, 2-methyl- H3C-(CH2)9-CH=(CH3)2 I.A-10
2751. 17312-57-1 1 1 1 Dodecane, 3-methyl- H3C-(CH2)8-CH(CH3)-CH2-CH3 I.A-10
2752. 3891-98-3 1 1 1 Dodecane, 2,6,10-trimethyl- (farnesane) I.A-10
2753. 693-23-2 1 0 0 Dodecanedioic acid HOOC-(CH2)10-COOH IV.A-3
2754. 143-07-7 1 1 1 Dodecanoic acid {lauric acid} H3C-(CH2)10-COOH IV.A-3, XXI-3
2755. 71278-23-4 1 1 1 Dodecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester
V-3
2756. 71278-24-5 1 0 0 Dodecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester
V-3
2757. 36617-18-2 1 1 1 Dodecanoic acid, eicosyl ester H3C-(CH2)10-COO-(CH2)19-CH3 V-3
2758. 106-33-2 0 1 0 Dodecanoic acid, ethyl ester {ethyl laurate} H3C-(CH2)10-COO-C2H5 V-3
2759. 111-82-0 0 1 0 Dodecanoic acid, methyl ester H3C-(CH2)10-COO-CH3 V-3
2760. 7416-57-1 0 1 0 Dodecanoic acid, 10-methyl- H3C-CH2 CH(CH3)-(CH2)8-COOH IV.A-3
2761. 121877-15-4 1 1 1 Dodecanoic acid, 10-methyl-, eicosyl ester H3C-CH2-CH(CH3)-(CH2)8-COO-(CH2)19-CH3
V-3
2762. 121877-10-9 1 1 1 Dodecanoic acid, 11-methyl-, eicosyl ester (H3C)2=CH-(CH2)9-COO-(CH2)19-CH3 V-3
2763. 112-53-8 1 1 1 1-Dodecanol {lauryl alcohol} H3C-(CH2)10-CH2OH II.A-5, XXI-3
2764. 6750-34-1 0 1 0 1-Dodecanol, 3,7,11-trimethyl- {hexahydrofarnesol} II.A-5
2765. 6175-49-1 0 1 0 2-Dodecanone H3C-(CH2)9-CO-CH3 III-13
2766. 502-61-4 1 0 0 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (E,E)-
{α-farnesene}
I.B-1
2767. 1 0 0 2,6,9,11-Dodecatetraen-1-ol, 2,6,10-trimethyl-, (2E,6E,9E)- {α-sinensol}
II.A-5
2768. 1 0 0 2,6,10,?-Dodecatetraenol {dehydrofarnesol} II.A-5
2769. 18794-84-8 1 0 0 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-,
(E)- {β-farnesene}
I.B-1
2770. 3899-18-1 1 0 0 2,6,10-Dodecatriene, 2,6,10-trimethyl-, (E,E)- I.B-1
2771. 1 0 0 2,6,10-Dodecatriene, 3,7,11-trimethyl- I.B-1
2772. 7548-13-2 0 1 0 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl- IV.A-3
2773. 7212-44-4 1 1 1 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- {nerolidol}
II.A-5
2774. 142-50-7 0 1 0 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]- II.A-5
2775. 4602-84-0
3790-71-4
1 1 1 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- {sinensol; farnesol}
II.A-5, XXI-3
2776. 1 0 0 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- {farnesol isomer}
II.A-5
2777. 29548-30-9 1 1 1 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate {farnesyl acetate}
V-3
2778. 0 1 0 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, formate {farnesyl formate}
V-3
2779. 25378-22-7 1 0 0 Dodecene I.B-1
112
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2780. 112-41-4 1 0 0 1-Dodecene H2C=CH-(CH2)9-CH3 I.B-1
2781. 1 0 0 1-Dodecene, 2-methyl- H2C=C(CH3)-(CH2)9-CH3 I.B-1
2782. 1 0 0 2-Dodecene, 2-methyl- H3C-C(CH3)=CH-(CH2)8-CH3 I.B-1
2783. 1 0 0 2-Dodecene, 10-methyl-, (Z)- H3C-CH=CH-(CH2)6-CH(CH3)-CH2-CH3 I.B-1
2784. 1 0 0 2-Dodecene, 10-methyl-, (E)- I.B-1
2785. 1 0 0 2-Dodecene, 11-methyl-, (Z)- H3C-CH=CH-(CH2)7-CH(CH3)2 I.B-1
2786. 1 0 0 2-Dodecene, 11-methyl-, (E)- I.B-1
2787. 1 0 0 Dodecenoic acid IV.A-3
2788. 4412-16-2 0 1 0 2-Dodecenoic acid IV.A-3
2789. 544-85-4 1 1 1 Dotriacontane H3C-(CH2)30-CH3 I.A-10
2790. 1720-11-2 1 1 1 Dotriacontane, 2-methyl- H3C-(CH2)29-CH=(CH3)2 I.A-10
2791. 20129-49-1 1 1 1 Dotriacontane, 3-methyl- H3C-(CH2)28-CH(CH3)-CH2-CH3 I.A-10
2792. 16753-27-8 1 1 1 Dotriacontane-16,17-14
C2, labeled with 14
C I.A-10
2793. 3625-52-3 1 0 0 Dotriacontanoic acid H3C-(CH2)30-COOH IV.A-3
2794. 121878-06-6 1 1 1 Dotriacontanoic acid, eicosyl ester H3C-(CH2)30-COO-(CH2)19-CH3 V-3
2795. 66309-89-5 1 0 0 2,6,10,14,18,22,26,30-Dotriacontaoctaene, 2,6,10,14,18,22,26,30-octamethyl-, (all-E)-
I.B-1
2796. 85792-05-8 1 0 0 Dotriacontene I.B-1
2797. 18435-55-7 1 0 0 1-Dotriacontene H2C=CH-(CH2)29-CH3 I.B-1
2798. 1 0 0 2-Dotriacontene, (Z)- H3C-CH=CH-(CH2)28-CH3 I.B-1
2799. 1 0 0 2-Dotriacontene, (E)- I.B-1
2800. 7429-91-6 1 1 1 Dysprosium Dy XX-5
2801. 9007-57-2 0 1 0 Edestin XXII-2
2802. 25448-01-5 0 1 0 Eicosadienoic acid IV.A-3
2803. 2400-66-0 0 1 0 Eicosanal H3C-(CH2)18-CH=O III-12
2804. 112-95-8 1 1 1 Eicosane H3C-(CH2)18-CH3 I.A-10
2805. 0 1 0 Eicosane, methyl- I.A-10
2806. 1 0 0 Eicosane, 2-methyl- H3C-(CH2)17-CH=(CH3)2 I.A-10
2807. 0 1 0 Eicosane, 3-methyl- H3C-(CH2)16-CH(CH3)-CH2-CH3 I.A-10
2808. 4616-73-3 1 0 0 Eicosanenitrile H3C-(CH2)18-CN XI-2
2809. 506-30-9 1 1 1 Eicosanoic acid {arachidic acid} H3C-(CH2)18-COOH IV.A-3
2810. 42232-87-1 1 1 1 Eicosanoic acid, docosyl ester H3C-(CH2)18-COO-(CH2)21-CH3 V-3
2811. 42232-82-6 1 1 1 Eicosanoic acid, dodecyl ester H3C-(CH2)18-COO-(CH2)11-CH3 V-3
2812. 22432-80-0 1 1 1 Eicosanoic acid, eicosyl ester H3C-(CH2)18-COO-(CH2)19-CH3 V-3
2813. 42218-26-8 1 1 1 Eicosanoic acid, heneicosyl ester H3C-(CH2)18-COO-(CH2)20-CH3 V-3
2814. 121877-87-0 1 1 1 Eicosanoic acid, heptacosyl ester H3C-(CH2)18-COO-(CH2)26-CH3 V-3
2815. 36610-58-9 1 1 1 Eicosanoic acid, heptadecyl ester H3C-(CH2)18-COO-(CH2)16-CH3 V-3
2816. 17318-45-5 1 1 1 Eicosanoic acid, hexacosyl ester H3C-(CH2)18-COO-(CH2)25-CH3 V-3
2817. 22413-05-4 1 1 1 Eicosanoic acid, hexadecyl ester H3C-(CH2)18-COO-(CH2)15-CH3 V-3
2818. 1120-28-1 1 0 0 Eicosanoic acid, methyl ester H3C-(CH2)18-COO-CH3 V-3
2819. 36610-60-3 1 1 1 Eicosanoic acid, nonadecyl ester H3C-(CH2)18-COO-(CH2)18-CH3 V-3
2820. 55309-61-0 1 1 1 Eicosanoic acid, octacosyl ester H3C-(CH2)18-COO-(CH2)27-CH3 V-3
113
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2821. 22432-79-7 1 1 1 Eicosanoic acid, octadecyl ester H3C-(CH2)18-COO-(CH2)17-CH3 V-3
2822. 121877-79-0 1 1 1 Eicosanoic acid, pentacosyl ester H3C-(CH2)18-COO-(CH2)24-CH3 V-3
2823. 36665-69-7 1 1 1 Eicosanoic acid, pentadecyl ester H3C-(CH2)18-COO-(CH2)14-CH3 V-3
2824. 42232-89-3 1 1 1 Eicosanoic acid, tetracosyl ester H3C-(CH2)18-COO-(CH2)23-CH3 V-3
2825. 22413-04-3 1 1 1 Eicosanoic acid, tetradecyl ester H3C-(CH2)18-COO-(CH2)13-CH3 V-3
2826. 71278-14-3 1 0 0 Eicosanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester
V-3
2827. 42232-88-2 1 1 1 Eicosanoic acid, tricosyl ester H3C-(CH2)18-COO-(CH2)32-CH3 V-3
2828. 36610-55-6 1 1 1 Eicosanoic acid, tridecyl ester H3C-(CH2)18-COO-(CH2)12-CH3 V-3
2829. 36332-93-1 1 1 1 Eicosanoic acid, 18-methyl- H3C-CH2-CH(CH3)-(CH2)16-COOH IV.A-3
2830. 121877-60-9 1 1 1 Eicosanoic acid, 18-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)16-COO-(CH2)21-CH3
V-3
2831. 59708-73-5 0 1 0 Eicosanoic acid, 19-methyl- (H3C)2=CH-(CH2)17-COOH IV.A-3
2832. 629-96-9 1 1 1 1-Eicosanol {arachic alcohol} H3C-(CH2)18-CH2OH II.A-5
2833. 0 1 0 1-Eicosanol, 18-methyl- II.A-5
2834. 0 1 0 1-Eicosanol, 19-methyl- II.A-5
2835. 4340-76-5 1 0 0 2-Eicosanol II.A-5
2836. 7431-92-7 1 0 0 2,6,10,14,18-Eicosapentaene, 2,6,10,14,18-pentamethyl-, (all-E)-
H-[CH2-C(CH3)=CH-CH2]5-H I.B-1
2837. 75581-03-2 1 0 0 2,6,10,14,18-Eicosapentaene, 2,6,10,14,18-pentamethyl-
I.B-1
2838. 1 0 0 2,6,10,14,18-Eicosapentaene, 2,6,10,14,18-pentamethyl- {isomer}
I.B-1
2839. 506-32-1 1 1 1 5,8,11,14-Eicosatetraenoic acid, (all-Z)- {arachidonic acid}
IV.A-3
2840. 55682-88-7 0 1 0 11,14,17-Eicosatrienoic acid, methyl ester V-3
2841. 1 0 0 Eicosene I.B-1
2842. 3452-07-1 1 1 1 1-Eicosene H2C=CH-(CH2)17-CH3 I.B-1
2843. 1 0 0 1-Eicosene, 2-methyl- H2C=C(CH3)-(CH2)17-CH3 I.B-1
2844. 1 0 0 2-Eicosene, (Z)- H3C-CH=CH-(CH2)16-CH3 I.B-1
2845. 1 0 0 2-Eicosene, (E)- I.B-1
2846. 1 0 0 2-Eicosene, 2-methyl- H3C-C(CH3)=CH-(CH2)16-CH3 I.B-1
2847. 1 0 0 2-Eicosene, 18-methyl-, (Z)- H3C-CH=CH-(CH2)14-CH(CH3)-CH2-CH3 I.B-1
2848. 1 0 0 2-Eicosene, 18-methyl-, (E)- I.B-1
2849. 1 0 0 2-Eicosene, 19-methyl-, (Z)- H3C-CH=CH-(CH2)15-CH(CH3)2 I.B-1
2850. 1 0 0 2-Eicosene, 19-methyl-, (E)- I.B-1
2851. 26764-41-0 1 1 1 Eicosenoic acid IV.A-3
2852. 22104-85-4 0 1 0 2-Eicosen-1-ol H3C-(CH2)16-CH=CH-CH2OH II.A-5
2853. 159844-36-7 0 1 0 Enzyme E 2 (Arabidopsis thaliana clone TAY029 gene UbcAt3 ubiquitin-carrier)
XXII-2
2854. 38419-69-1 0 1 0 6H-3,10b-Epoxy-1H-naphtho[2,1-b]pyran, decahydro-3,4a,7,7,10a-pentamethyl-, [3S-
(3α,4aβ,6aα,10aβ,10bα)]-
X-2
2855. 7440-52-0 1 1 1 Erbium XX-5
114
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2856. 474-62-4 1 1 1 Ergost-5-en-3-ol, (3β,24R)- {campesterol} II.B-2
2857. 26047-31-4 0 1 0 Ergost-7-en-3-ol, (3β)- II.B-2
2858. 17105-75-8 1 0 0 Ergost-7-en-3-ol, (3β,24ξ)- II.B-2
2859. 33860-48-9 0 1 0 Ergost-8-en-3-ol, 14-methyl-, (3β,5α)- II.B-2
2860. 16910-33-1 0 1 0 Ergost-8-en-3-ol, 4,14-dimethyl-, (3β,4α,5α)- II.B-2
2861. 70116-48-2 0 1 0 Ergost-8-en-3-ol, 4,14-dimethyl-, (3β,4α,5α,24ξ)- II.B-2
2862. 77327-07-2 1 0 0 Ergosta-3,5,7-triene, (24ξ)- I.C-1 R
R = -(CH2)2-CH(CH3)-CH(CH3)2
2863. 19254-69-4 0 1 0 Ergosta-4,6,8(14),22-tetraen-3-one, (22E)- III-13
H3C
H3C
CH3CH3
CH3
H3C
O
1
2
3
4 6
75
8
2864. 474-67-9 0 1 0 Ergosta-5,22-dien-3-ol, (3β,22E)- II.B-2
2865. 474-63-5 0 1 0 Ergosta-5,24(28)-dien-3-ol, (3β)- II.B-2
2866. 52936-69-3 0 1 0 Ergosta-5,25-dien-3-ol, (3β)- II.B-2
2867. 57-87-4 1 1 1 Ergosta-5,7,22-trien-3-ol, (3β,22E)- {ergosterol} II.B-2
HO
H3C
H3C
CH3CH3
CH3
H3C
2868. 21490-25-5 0 1 0 Ergosta-7,24(28)-dien-3β-ol, 4β-methyl- II.B-2
2869. 474-68-0 0 1 0 Ergosta-7,24(28)-dien-3-ol, (3β,5α)- II.B-2
2870. 1176-52-9 0 1 0 Ergosta-7,24(28)-dien-3-ol, 4-methyl-, (3β,4α,5α)- II.B-2
2871. 74635-33-9 0 1 0 Ergosta-8,14,24(28)-trien-3-ol, 4-methyl-,
(3β,4α,5α)-
II.B-2
2872. 23839-47-6 0 1 0 Ergosta-8,14-dien-3-ol, (3β,5α)- II.B-2
2873. 33886-74-7 0 1 0 Ergosta-8,24(28)-dien-3-ol, 14-methyl-, (3β,5α)- II.B-2
2874. 16910-32-0 0 1 0 Ergosta-8,24(28)-dien-3-ol, 4,14-dimethyl-,
(3β,4α,5α)-
II.B-2
2875. 80736-41-0 0 1 0 Ergostan-6-one, 2,3,22,23-tetrahydroxy-,
(2α,3α,5α,22R, 23R,24S)-
III-13, II.B-2
2876. 121468-15-3 0 1 0 Ergostan-6-one, 2,3,22,23-tetrahydroxy-,
(2α,3β,5α,22R,23R,24S)-
III-13, II.B-2
2877. 92751-21-8 0 1 0 Ergostan-6-one, 3,22,23-trihydroxy-,
(3β,5α,22R,23R,24S)-
III-13, II.B-2
2878. 87734-68-7 0 1 0 Ergostan-6-one, 3,22,23-trihydroxy-,
(3α,5α,22R,23R,24S)-
III-13, II.B-2
115
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2879. 0 1 0 Erlose (a trisaccharide) II.A-5
2880. 9013-79-0 0 1 0 Esterase XXII-2
2881. 9025-98-3 0 1 0 Esterase, pectin XXII-2
2882. 75-04-7 1 1 1 Ethanamine {ethylamine} H3C-CH2-NH2 XII-2
2883. 51-75-2 1 0 0 Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl- (Cl-CH2-CH2)2=N-CH3 XII-2, XVIII.B-3
2884. 121-44-8 1 1 1 Ethanamine, N,N-diethyl- {triethylamine} (H3C-CH2)3≡N XII-2
2885. 1 0 0 Ethanamine, N,1-dimethyl-N-nitroso- XV-8
2886. 109-89-7 1 1 1 Ethanamine, N-ethyl- {diethylamine} (H3C-CH2)2=NH XII-2
2887. 55-18-5 1 1 1 Ethanamine, N-ethyl-N-nitroso- {NDEA} (H3C-CH2)2=N-NO XV-8
2888. 624-78-2 1 1 1 Ethanamine, N-methyl- H3C-CH2-NH-CH3 XII-2
2889. 10595-95-6 1 1 1 Ethanamine, N-methyl-N-nitroso- {NEMA} H3C-CH2-N(NO)-CH3 XV-8
2890. 97190-07-3 0 1 0 Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, hydroxide, inner salt, monooctadecadienoate monooctadecatrienoate, (all-Z)-
XII-2
2891. 97190-09-5 0 1 0 Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, hydroxide, inner salt, monohexadecanoate monooctadecatrienoate, (Z,Z,Z)-
XII-2
2892. 97190-10-8 0 1 0 Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, hydroxide, inner salt, monohexadecanoate monooctadecadienoate, (Z,Z)-
XII-2
2893. 97190-12-0 0 1 0 Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N- trimethyl-, hydroxide, inner salt, monooctadecadienoate
XII-2
2894. 62-49-7
123-41-1
0 1 0 Ethanaminium, 2-hydroxy-N,N,N-trimethyl- {choline}
HO-(CH2)2-N+≡(CH3)3 XII-2
2895. 8002-43-5 0 1 0 Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, phosphatidyl- {lecithin}
XII-2
2896. 74-84-0 1 0 0 Ethane H3C-CH3 I.A-10
2897. 0 1 0 Ethane, bis(4-methylphenyl)- I.D-1
2898. 1 1 1 Ethane, 1-chloro-2-bromotetrafluoro-
{Freon® 114b1}
ClF2C-CF2Br XVIII.B-3
2899. 75-88-7 1 1 1 Ethane, 1-chloro-2,2,2-trifluoro- {Freon® 133a} ClCH2-CF3 XVIII.B-3
2900. 624-89-5 1 0 0 Ethane, (methylthio)- XVIII.A-1
2901. 60-29-7 1 1 1 Ethane, 1,1'-oxybis- {ethyl ether} X-2
2902. 352-93-2 1 0 0 Ethane, 1,1'-thiobis- XVIII.A-1
2903. 106-93-4 0 1 0 Ethane, 1,2-dibromo-
{ethylene dibromide, EDB®, Bromofume®}
Br-CH2-CH2-Br XVIII.B-3, XXI-3
2904. 107-06-2 1 0 0 Ethane, 1,2-dichloro- XVIII.B-3
2905. 306-83-2 1 1 1 Ethane, 2,2-dichloro-1,1,1-trifluoro- {Freon® 123} Cl2CH-CF3 XVIII.B-3
2906. 104-66-5 0 1 0 Ethane, 1,2-diphenoxy- C6H5-O-CH2CH2-OC6H5 X-2
2907. 75-00-3 1 0 0 Ethane, chloro- C2H5-Cl XVIII.B-3
116
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2908. 540-67-0 1 0 0 Ethane, methoxy- C2H5-O-CH3 X-2
2909. 79-24-3 1 0 0 Ethane, nitro- C2H5-NO2 XVI-1
2910. 811-97-2 1 1 1 Ethane, 1,1,1,2-tetrafluoro- {Freon® 134a} FCH2-CF3 XVIII.B-3
2911. 71-55-6 1 0 0 Ethane, 1,1,1-trichloro- H3C-C≡Cl3 XVIII.B-3
2912. 72-43-5 0 1 0 Ethane, 1,1,1-trichloro-2,2-bis(4-methoxyphenyl)- {Methoxychlor®}
O
CCl3
O
X-2, XVIII.B-3, XXI-3
2913. 25323-89-1 0 1 0 Ethane, 1,2,2-trichloro- XVIII.B-3, XXI-3
2914. 151-67-7 1 1 1 Ethane, 1,1,1-trifluoro-2-bromo-2-chloro-
{Freon® 123b1, Halothane}
ClBrCH-CF3 XVIII.B-3
2915. 107-22-2 1 1 1 Ethanedial {glyoxal} O=CH-CH=O III-12
2916. 460-19-5 1 0 0 Ethanedinitrile {cyanogen} NC-CN XI-2
2917. 0 1 0 Ethanedioate {oxalate} XX-6
2918. 144-62-7 1 1 1 Ethanedioic acid {oxalic acid} HOOC-COOH IV.A-3
2919. 1 1 1 Ethanedioic acid, labeled with 14
C {oxalic acid-
14C}
XXV-29
2920. 14258-49-2 0 1 0 Ethanedioic acid, ammonium salt XX-6
2921. 17787-48-3 0 1 0 Ethanedioic acid, calcium salt (1:1), hydrate (2:5) XX-6
2922. 25454-23-3 0 1 0 Ethanedioic acid, calcium salt XX-6
2923. 95-92-1 0 1 0 Ethanedioic acid, diethyl ester V-3
2924. 583-52-8 0 1 0 Ethanedioic acid, dipotassium salt XX-6
2925. 6018-94-6 0 1 0 Ethanedioic acid, nickel salt XX-6
2926. 17480-26-1 0 1 0 Ethanedioic acid, tin salt {stannous oxalate} XX-6
2927. 542-10-9 1 0 0 1,1-Ethanediol, diacetate V-3
2928. 107-21-1 1 1 1 1,2-Ethanediol {ethylene glycol} HOCH2-CH2OH II.A-5
2929. 111-55-7 1 0 0 1,2-Ethanediol, diacetate V-3
2930. 534-82-7 0 1 0 1,2-Ethanediol, 1-(4-hydroxy-3-methoxyphenyl)- II.A-5
2931. 542-59-6
1 0 0 1,2-Ethanediol, monoacetate
{acetic acid, 2-hydroxyethyl ester}
HO-(CH2) 2-OOC-CH3 II.A-5, V-3
2932. 134-81-6 1 0 0 Ethanedione, diphenyl- {benzil} C6H5-CO-CO-C6H5 III-13
2933. 107-35-7 0 1 0 Ethanesulfonic acid, 2-amino- {taurine} H2N-(CH2)2-SO3H XII-2, XVIII.A-1
2934. 75-08-1 1 0 0 Ethanethiol {ethyl mercaptan} C2H5-SH XVIII.A-1
2935. 40460-44-4 0 1 0 1,1,2-Ethanetriol II.A-5
2936. 23135-22-0 0 1 0 Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester
{Oxamyl®}
(H3C)2=N-CO-C(S-CH3)=N-OOC-NH-CH3
V-3, XXI-3
2937. 59669-26-0 0 1 0 Ethanimidothioic acid, N',N'-(thiobis((methylimino)carbonyloxy))bis-, dimethyl ester {Thiodicarb®}
S=[NH-COO-N=C(CH3)-SCH3]2 XXI-3
2938. 64-17-5 1 1 1 Ethanol {ethyl alcohol} H3C-CH2OH II.A-5
2939. 108-01-0 1 0 0 Ethanol, 2-(dimethylamino)- (H3C)2=N-CH2-CH2OH II.A-5, XII-2
2940. 109-83-1 0 1 0 Ethanol, 2-(methylamino)- H3C-NH-CH2-CH2OH II.A-5, XII-2
2941. 1116-54-7 1 1 1 Ethanol, 2,2'-(nitrosoimino)bis- {NDELA} (HO-CH2CH2)2=N-NO XV-8
117
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2942. 112-27-6 1 1 1 Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis- {triethylene glycol}
HO-(CH2) 2-O-(CH2) 2-O-(CH2) 2-OH II.A-5
2943. 111-21-7 1 1 1 Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate V-3
2944. 112-60-7 0 1 0 Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis- {tetraethylene glycol}
II.A-5
2945. 30934-97-5 1 0 0 Ethanol, 2,2-dimethoxy- II.A-5, X-2
2946. 111-42-2 1 1 1 Ethanol, 2,2'-iminobis- {diethanolamine} (HO-CH2CH2)2=NH II.A-5, XII-2
2947. 111-46-6 1 1 1 Ethanol, 2,2'-oxybis- {diethylene glycol} (HO-CH2CH2)2=O II.A-5
2948. 141-43-5 0 1 0 Ethanol, 2-amino- {ethanolamine} HO-CH2CH2-NH2 II.A-5, XII-2
2949. 1071-23-4 0 1 0 Ethanol, 2-amino-, dihydrogen phosphate (ester) XII-2
2950. 78-51-3 1 0 0 Ethanol, 2-butoxy-, phosphate (3:1) [H3C-(CH2)3-O-(CH2)2]3≡P=O V-3
2951. 110-80-5 1 1 1 Ethanol, 2-ethoxy- HO-CH2CH2-O-CH2CH3 II.A-5, X-2
2952. 109-86-4 1 1 1 Ethanol, 2-methoxy- HO-CH2CH2-O-CH3 II.A-5, X-2
2953. 122-99-6 0 1 0 Ethanol, 2-phenoxy- C6H5O-CH2CH2-OH II.A-5, X-2
2954. 1321-27-3 1 1 1 Ethanol, phenyl-: Previously listed as
60-12-8 Benzeneethanol
II.A-5
2955. 115-32-2 0 1 0 Ethanol, 2,2,2-trichloro-1,1-bis(4-chlorophenyl)-
{Dicofol®}
Cl Cl
OHCl3C
XVIII.B-3, XXI-3
2956. 1 0 0 Ethanone, 1-(alkyl-1H-pyrrolyl)- III-13, XVII.A-4
2957. 78210-69-2 1 0 0 Ethanone, 1-(1,2-dihydro-2-methyl-3-pyridinyl)- III-13, XVII.B-2
2958. 117210-49-8 0 1 0 Ethanone, 1-(1,4,4a,5,6,7,8,8a-octahydro-4a,8,8-trimethyl-2-naphthalenyl)-, (4aR-trans)-
III-13
2959. 932-66-1 1 0 0 Ethanone, 1-(1-cyclohexen-1-yl)- III-13
2960. 1 0 0 Ethanone, 1-(dimethylphenyl)- {dimethylacetophenone}
III-13
2961. 26444-19-9 1 0 0 Ethanone, 1-(methylphenyl)- {methylacetophenone}
III-13
2962. 1 0 0 Ethanone, 1-(methyl-1H-pyrrolyl)- III-13, XVII.A-4
2963. 20583-33-9 0 1 0 Ethanone, 1-(1H-pyrazol-3-yl)- III-13, XVII.A-4
2964. 25016-16-4 0 1 0 Ethanone, 1-(1H-pyrazol-4-yl)- III-13, XVII.A-4
2965. 1072-83-9 1 1 1 Ethanone, 1-(1H-pyrrol-2-yl)-
{2-acetylpyrrole; methyl 2-pyrrolyl ketone}
III-13, XVII.A-4
2966. 1072-82-8 1 1 1 Ethanone, 1-(1H-pyrrol-3-yl)-
{3-acetylpyrrole; methyl 3-pyrrolyl ketone}
III-13, XVII.A-4
2967. 711-79-5 1 1 1 Ethanone, 1-(1-hydroxy-2-naphthalenyl)- III-13
2968. 20970-50-7 1 0 0 Ethanone, 1-(1-methyl-1H-imidazol-5-yl)- III-13, XVII.A-4
2969. 37687-18-6 1 0 0 Ethanone, 1-(1-methyl-1H-pyrazol-4-yl)- III-13, XVII.A-4
2970. 932-16-1 1 1 1 Ethanone, 1-(1-methyl-1H-pyrrol-2-yl)- III-13, XVII.A-4
2971. 932-62-7 1 1 1 Ethanone, 1-(1-methyl-1H-pyrrol-3-yl)- III-13, XVII.A-4
2972. 70987-81-4 1 1 1 Ethanone, 1-(1,2,3-trimethyl-2-cyclopenten-2-yl)- III-13
118
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
2973. 779-90-8 0 1 0 Ethanone, 1,1’,1”-(1,3,5-benzenetriyl)tris-
{1,3,5-triacetylbenzene}
CO-CH3
CO-CH3H3C-CO
III-13
2974. 1 0 0 Ethanone, 1-(2-alkylphenyl)- III-13
2975. 55041-85-5 1 1 1 Ethanone, 1-(2,3-dihydro-1H-pyrrolizin-5-yl)- III-13, XVII.A-4
2976. 19005-95-9 1 0 0 Ethanone, 1-(2,4,5-trimethyl-1H-pyrrol-3-yl)- III-13, XVII.A-4
2977. 85213-22-5 0 1 0 Ethanone, 1-(2,5-dihydro-1H-pyrrol-2-yl)- {2-acetylpyrroline}
III-13, XVII.A-4
2978. 1 0 0 Ethanone, 1-(2,5-dihydro-5-methyl-1H-pyrrol-3-yl)- III-13, XVII.A-4
2979. 490-78-8 1 0 0 Ethanone, 1-(2,5-dihydroxyphenyl)- OH
CO-CH3
HO
3
4
5
2
III-13, IX.A-22
2980. 1500-94-3 1 0 0 Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)- III-13, XVII.A-4
2981. 1197-92-8 0 1 0 Ethanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- III-13
2982. 699-83-2 1 0 0 Ethanone, 1-(2,6-dihydroxyphenyl)- III-13, IX.A-22
2983. 1192-62-7 1 1 1 Ethanone, 1-(2-furanyl)- {2-acetylfuran}
OCO-CH3
III-13, X-2
2984. 19859-79-1 1 0 0 Ethanone, 1-(2-furanyl)-2-(acetyloxy)- III-13, X-2
2985. 17678-19-2 1 0 0 Ethanone, 1-(2-furanyl)-2-hydroxy-
O
CO-CH2OH
III-13, X-2
2986. 703-98-0 1 0 0 Ethanone, 1-(2-hydroxy-3-methoxyphenyl)- III-13, IX.A-22, X-2
2987. 6921-64-8 0 1 0 Ethanone, 1-(2-hydroxy-4-methylphenyl)- III-13, IX.A-22
2988. 1450-72-2 1 0 0 Ethanone, 1-(2-hydroxy-5-methylphenyl)- III-13, IX.A-22
2989. 703-23-1 1 0 0 Ethanone, 1-(2-hydroxy-6-methoxyphenyl)- III-13, IX.A-22, X-2
2990. 0 1 0 Ethanone, 1-(2-hydroxy-6-methylphenyl)- III-13, IX.A-22
2991. 118-93-4 1 1 1 Ethanone, 1-(2-hydroxyphenyl)- III-13, IX.A-22
2992. 78210-66-9 1 0 0 Ethanone, 1-(2-methyl-1H-imidazol-4-yl)- III-13, XVII.A-4
2993. 577-16-2 1 1 1 Ethanone, 1-(2-methylphenyl)-
{2-methylacetophenone}
III-13
2994. 0 1 0 Ethanone, 1-[2-methyl-5-(1-methylethyl)-phenyl]- III-13
2995. 1122-62-9 1 1 1 Ethanone, 1-(2-pyridinyl)- {2-acetylpyridine} III-13, XVII.B-2
2996. 60026-20-2 1 1 1 Ethanone, 1-(2-pyrrolidinyl)- {2-acetylpyrrolidine} III-13, XVII.A-4
2997. 24295-03-2 0 1 0 Ethanone, 1-(2-thiazolyl)- {2-acetylthiazole} III-13, XVIII.A-1
2998. 88-15-3 0 1 0 Ethanone, 1-(2-thienyl)- {2-acetylthiophene} III-13, XVIII.A-1
2999. 0 1 0 Ethanone, 1-[2,3-dihydro-2-(1-methylethyl)-inden-4-yl]-
III-13
3000. 0 1 0 Ethanone, 1-[3,4-dihydro-6-(1-methylethyl)-inden-4-yl]-pyran-2-yl]-
III-13
3001. 0 1 0 Ethanone, 1-(3,4-dihydro-4-methylpyrazin-2-yl)- III-13, XVII.B-2
3002. 1197-09-7 1 0 0 Ethanone, 1-(3,4-dihydroxyphenyl)- III-13, IX.A-22
3003. 1131-62-0 1 0 0 Ethanone, 1-(3,4-dimethoxyphenyl)- III-13
119
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3004. 4478-63-1 0 1 0 Ethanone, 1-(3,3-dimethyloxiranyl)- {mesityl oxide epoxide}
O
CO-CH3
H3C
H3C
III-13, X-2
3005. 3637-01-2 1 0 0 Ethanone, 1-(3,4-dimethylphenyl)- III-13
3006. 51863-60-6 0 1 0 Ethanone, 1-(3,5-dihydroxyphenyl)- III-13, IX.A-22
3007. 117210-50-1 0 1 0 Ethanone, 1-(3a,4,5,6,7,7a-hexahydro-3a,7,7-trimethyl-1H-inden-2-yl)-, (3aR-trans)-
III-13
3008. 66611-15-2 1 0 0 Ethanone, 1-(3-benzofuranyl)- III-13, X-2
3009. 22699-70-3 1 0 0 Ethanone, 1-(3-ethylphenyl)- III-13
3010. 14313-09-8 1 0 0 Ethanone, 1-(3-furanyl)- III-13, X-2
3011. 3420-59-5 0 1 0 Ethanone, 1-(3-hydroxy-2-furanyl)- {isomaltol} II.A-5, III-13, X-2
3012. 1 0 0 Ethanone, 1-(3-hydroxy-2-methoxyphenyl)- III-13, IX.A-22, X-2
3013. 6100-74-9 1 0 0 Ethanone, 1-(3-hydroxy-4-methoxyphenyl)- III-13, IX.A-22, X-2
3014. 33414-49-2 1 0 0 Ethanone, 1-(3-hydroxy-4-methylphenyl)- III-13, IX.A-22
3015. 121-71-1 1 0 0 Ethanone, 1-(3-hydroxyphenyl)- III-13, IX.A-22
3016. 586-37-8 1 0 0 Ethanone, 1-(3-methoxyphenyl)- III-13, X-2
3017. 72693-15-3 1 0 0 Ethanone, 1-(3-methyl-3H-pyrazol-4-yl)- III-13, XVII.A-4
3018. 72709-76-3 1 0 0 Ethanone, 1-(3-methyl-3H-pyrazol-4-yl)- III-13, XVII.A-4
3019. 585-74-0 1 1 1 Ethanone, 1-(3-methylphenyl)- {3-methylacetophenone}
III-13
3020. 23787-80-6 1 1 1 Ethanone, 1-(3-methylpyrazinyl)- {2-acetyl-3-methylpyrazine}
N
N
CO-CH3
CH3
III-13, XVII.B-2
3021. 350-03-8 1 1 1 Ethanone, 1-(3-pyridinyl)-
{3-acetylpyridine or methyl 3-pyridyl ketone}
III-13, XVII.B-2
3022. 25343-57-1 0 1 0 Ethanone, 1-[3-(1,4,5,6-tetrahydropyridinyl)]- III-13, XVII.B-2
3023. 27300-27-2 0 1 0 Ethanone, 1-[3-(3,4,5,6-tetrahydropyridinyl)]- III-13, XVII.B-2
3024. 59576-31-7 1 0 0 Ethanone, 1-(4,6-dimethyl-2-pyridinyl)- III-13, XVII.B-2
3025. 37920-25-5 1 0 0 Ethanone, 1-(4-butylphenyl)- III-13
3026. 1676-63-7 1 0 0 Ethanone, 1-(4-ethoxyphenyl)- III-13, X-2
3027. 66309-77-1 1 0 0 Ethanone, 1-(4-ethyl-2,3-dimethylphenyl)- III-13
3028. 493-33-4 1 0 0 Ethanone, 1-(4-hydroxy-2-methoxyphenyl)- III-13, IX.A-22, X-2
3029. 2478-38-8 1 0 0 Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)- III-13, IX.A-22, X-2
3030. 498-02-2 1 1 1 Ethanone, 1-(4-hydroxy-3-methoxyphenyl)- {acetovanillone}
III-13, IX.A-22, X-2
3031. 99-93-4 1 1 1 Ethanone, 1-(4-hydroxyphenyl)- III-13, IX.A-22
3032. 100-06-1 1 1 1 Ethanone, 1-(4-methoxyphenyl)- {acetanisole} III-13, X-2
3033. 2524-90-5 1 0 0 Ethanone, 1-(4-methyl-1H-imidazol-2-yl)- III-13, XVII.A-4
3034. 122-00-9 1 1 1 Ethanone, 1-(4-methylphenyl)- {4-methylacetophenone}
III-13
3035. 59576-26-0 1 0 0 Ethanone, 1-(4-methyl-2-pyridinyl)- III-13, XVII.B-2
3036. 1122-54-9 1 1 1 Ethanone, 1-(4-pyridinyl)- {4-acetylpyridine} III-13, XVII.B-2
3037. 38205-66-2 1 0 0 Ethanone, 1-(4-thiazolyl)- {4-acetylthiazole} III-13, XVIII.A-1
120
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3038. 6982-72-5 1 1 1 Ethanone, 1-(5-methyl-1H-pyrrol-2-yl)- {2-acetyl-5-methylpyrrole}
III-13, XVII.A-4
3039. 1193-79-9 1 1 1 Ethanone, 1-(5-methyl-2-furanyl)- {2-acetyl-5-methylfuran}
III-13, X-2
3040. 42972-46-3 1 1 1 Ethanone, 1-(5-methyl-3-pyridinyl)- III-13, XVII.B-2
3041. 22047-27-4 1 1 1 Ethanone, 1-(5-methylpyrazinyl)-
{2-acetyl-5-methylpyrazine}
N
N
CO-CH3
H3C
III-13, XVII.B-2
3042. 78210-67-0 1 0 0 Ethanone, 1-(5-propyl-1H-imidazol-4-yl)- III-13, XVII.A-4
3043. 6940-57-4 1 0 0 Ethanone, 1-(6-methyl-2-pyridinyl)- III-13, XVII.B-2
3044. 36357-38-7 1 0 0 Ethanone, 1-(6-methyl-3-pyridinyl)- III-13, XVII.B-2
3045. 22047-26-3 1 1 1 Ethanone, 1-(6-methylpyrazinyl)- {2-acetyl-6-methylpyrazine}
III-13, XVII.B-2
3046. 61891-76-7 1 0 0 Ethanone, 1-(dihydro-3,4-dimethylpyrrol-2-yl)- III-13, XVII.A-4
3047. 78249-86-2 1 0 0 Ethanone, 1-(dimethylpyridinyl)- III-13, XVII.B-2
3048. 25496-14-4 1 0 0 Ethanone, 1-(ethylphenyl)- III-13
3049. 25154-45-4 1 0 0 Ethanone, 1-(furanyl)- III-13, X-2
3050. 692-73-0 1 0 0 Ethanone, 1-(hydroxymethylphenyl)- III-13
3051. 70587-92-7 1 0 0 Ethanone, 1-(hydroxyphenyl)- III-13, IX.A-22
3052. 71278-10-9 1 0 0 Ethanone, 1-(methyl-2-furanyl)- III-13
3053. 74430-25-4 1 0 0 Ethanone, 1-(methylfuranyl)- III-13
3054. 1 0 0 Ethanone, 1-(methylpyridinyl)- {2 isomers} III-13, XVII.B-2
3055. 1333-52-4 1 1 1 Ethanone, 1-(naphthalenyl)-
{methyl naphthyl ketone}
III-13
3056. 25252-64-6 1 0 0 Ethanone, 1-(tetrahydro-2-furanyl)- III-13, X-2
3057. 121198-50-3 1 0 0 Ethanone, 1-(tetrahydrofuranyl)- III-13, X-2
3058. 13678-73-4 0 1 0 Ethanone, 1-[1-(2-furanylmethyl)-1H-pyrrol-2-yl]- III-13, X-2
3059. 22583-61-5 1 0 0 Ethanone, 1-[2-(1,1-dimethylethyl)phenyl]- III-13
3060. 112523-81-6 0 1 0 Ethanone, 1-[2,3,3a,4,6a,7,8,9,9a,9b-decahydro-5,9a-dimethyl-7-(1-methylethyl)-1H-cyclopent[a]azulen-3-yl]-, [3R-
(3α,3aα,6aβ,7β,9aα,9bβ)]-
III-13
3061. 152186-01-1 0 1 0 Ethanone, 1-[2,3,3a,4,6a,7,8,9,9a,9b-decahydro-5,9a-dimethyl-7-(1-methylethyl)-1H-cyclopent[a]azulen-3-yl]-,
(3α,3aα,6aβ,7β,9aα,9bβ)-(±)-
III-13
3062. 1767-84-6 0 1 0 Ethanone, 1-(2-methyl-2-cyclopenten-1-yl)- III-13
3063. 94390-73-5 1 0 0 Ethanone, 1-[2-methyl-5-(1-methylethyl)-2,5-cyclohexadien-1-yl]-
III-13
3064. 1202-08-0 0 1 0 Ethanone, 1-[2-methyl-5-(1-methylethyl)phenyl]- III-13
3065. 51297-35-9 0 1 0 Ethanone, 1-[3-(1-ethyl-2-methylpropyl)oxiranyl]- III-13
3066. 31577-86-3
43219-68-7
0 1 0 Ethanone, 1-[3-(1-methylethenyl)cyclopentyl]- {two isomers}
III-13
3067. 120056-06-6 0 1 0 Ethanone, 1-[3-(decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl) oxiranyl]-, [1S-
[1α(2S*,3R*),2β,4a
III-13, X-2
3068. 1 0 0 Ethanone, 1-[4-(2,6-dimethylpyridinyl)]- III-13, XVII.B-2
121
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3069. 55087-82-6 1 0 0 Ethanone, 1-[5-(hydroxymethyl)-2-furanyl]- II.A-5, III-13
3070. 52812-41-6 0 1 0 Ethanone, 1-[5-methyl-2-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]oct-7-yl]-
III-13, X-2
3071. 57934-85-7 0 1 0 Ethanone, 1-[5-methyl-2-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]oct-7-yl]-, (exo,exo)-(±)-
III-13, X-2
3072. 123695-66-9 1 0 0 Ethanone, 1-[6-hydroxy-6-methyl-3-(1-methylethyl)-2-cyclohexen-1-yl]-
II.A-5, III-13
3073. 823-76-7 0 1 0 Ethanone, 1-cyclohexyl- III-13
3074. 57276-33-2 1 0 0 Ethanone, 1-cyclopropyl-2-(3-pyridinyl)- III-13, XVII.B-2
3075. 98-86-2 1 1 1 Ethanone, 1-phenyl- {acetophenone} III-13
3076. 2243-35-8 0 1 0 Ethanone, 1-phenyl-2-(acetyloxy)- III-13
3077. 22047-25-2 1 1 1 Ethanone, 1-pyrazinyl- {acetylpyrazine} III-13, XVII.B-2
3078. 574-06-1 1 0 0 Ethanone, 1,2-diphenyl-2-(acetyloxy)- {benzoin acetate}
III-13, V-3
3079. 593-67-9 1 0 0 Ethenamine H2C=CH-NH2 XII-2
3080. 74-85-1 1 1 1 Ethene {ethylene} H2C=CH2 I.B-1, XXI-3
3081. 75-01-4 0 1 0 Ethene, chloro- {vinyl chloride} H2C=CH-Cl XVIII.B-3
3082. 79-38-9 1 1 1 Ethene, chlorotrifluoro- {Freon® 1113} ClFC=CF2 XVIII.B-3
3083. 79-35-6 1 1 1 Ethene, 1,1-dichloro-2,2-difluoro- {Freon® 1112a} Cl2C=CF2 XVIII.B-3
3084. 0 1 0 Ethene, 1-(4-hydroxyphenyl)-2-(3,5-dihydroxyphenyl)- {resveratrol}
IX.A-22
3085. 102-61-4 0 1 0 Ethene, 1-(phenyl)-2-(3,5-dihydroxyphenyl)- {pinosylvin}
IX.A-22
3086. 127-18-4 1 0 0 Ethene, tetrachloro- Cl2C=CCl2 XVIII.B-3
3087. 79-01-6 1 0 0 Ethene, trichloro- Cl2C=CHCl XVIII.B-3
3088. 463-51-4 1 0 0 Ethenone {ketene} H2C=CO III-13
3089. 2154-50-9 1 0 0 Ethoxyl radical OCH2CH3 XXVII-1
3090. 74-86-2 1 0 0 Ethyne {acetylene} HC≡CH I.B-1
3091. 7440-53-1 1 1 1 Europium Eu XX-5
3092. 378750-46-0 1 1 1 Europium, isotope of mass 152 152
Eu XX-5
3093. 9040-09-9 0 1 0 Ferredoxins XXII-2
3094. 29732-48-7 0 1 0 Flavylium, 3-[[O-(6-deoxymannosyl)-D-glucosyl]oxy]-3',4',5,5',7-pentahydroxy-, chloride
II.A-5, XVIII.B-3
3095. 0 1 0 Flavylium, 3-[[O-(6-deoxymannosyl)-D-glucosyl]oxy]-3',4',5,7-tetrahydroxy-, chloride
II.A-5, IIIXVIII.B-3
3096. 1 0 0 Fluoraninene, ethylmethyl- I.E-6
3097. 2693-46-1 1 0 0 3-Fluoranthenamine XII-2
3098. 206-44-0 1 1 1 Fluoranthene 1 2
3
4
56
7
8
9
10
I.E-6
3099. 1 0 0 Fluoranthene, alkyl- I.E-6
3100. 41593-24-2 1 0 0 Fluoranthene, dihydro- I.E-6
3101. 71278-25-6 1 0 0 Fluoranthene, dihydromethyl- I.E-6
122
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3102. 60826-74-6 1 0 0 Fluoranthene, dimethyl- {at least 4 isomers in MSS}
I.E-6
3103. 25889-63-8 1 0 0 Fluoranthene, 8,9-dimethyl- I.E-6
3104. 55220-72-9 1 0 0 Fluoranthene, ethyl- I.E-6
3105. 71277-96-8 1 0 0 Fluoranthene, ethylmethyl- I.E-6
3106. 71277-97-9 1 0 0 Fluoranthene, hexamethyl- I.E-6
3107. 30997-39-8 1 0 0 Fluoranthene, methyl- I.E-6
3108. 25889-60-5 1 0 0 Fluoranthene, 1-methyl- I.E-6
3109. 33543-31-6 1 1 1 Fluoranthene, 2-methyl- I.E-6
3110. 1706-01-0 1 0 0 Fluoranthene, 3-methyl- I.E-6
3111. 23339-05-1 1 0 0 Fluoranthene, 7-methyl- I.E-6
3112. 20485-57-8 1 0 0 Fluoranthene, 8-methyl- I.E-6
3113. 71277-98-0 1 0 0 Fluoranthene, pentamethyl- {at least 2 isomers in MSS}
I.E-6
3114. 55220-69-4 1 0 0 Fluoranthene, propyl- I.E-6
3115. 71277-99-1 1 0 0 Fluoranthene, tetramethyl- I.E-6
3116. 41637-87-0 1 0 0 Fluoranthene, trimethyl- I.E-6
3117. 1 0 0 Fluorenamine XII-2
3118. 64294-96-8 1 0 0 9H-Fluorenamine XII-2
3119. 6344-63-4 1 0 0 9H-Fluoren-1-amine XII-2
3120. 153-78-6 1 0 0 9H-Fluoren-2-amine XII-2
3121. 1 0 0 9H-Fluoren-4-amine XII-2
3122. 525-03-1 1 0 0 9H-Fluoren-9-amine XII-2
3123. 86-73-7 1 1 1 9H-Fluorene 1
2
3456
7
89
I.E-6
3124. 30582-01-5 1 1 1 9H-Fluorene, dimethyl- {at least 5 isomers in MSS}
I.E-6
3125. 1 0 0 9H-Fluorene, ?,9-dimethyl- I.E-6
3126. 17057-98-6 1 0 0 9H-Fluorene, 1,9-dimethyl- I.E-6
3127. 4612-63-9 1 1 1 9H-Fluorene, 2,3-dimethyl- I.E-6
3128. 4569-45-3 1 0 0 9H-Fluorene, 9,9-dimethyl- I.E-6
3129. 71278-00-7 1 0 0 9H-Fluorene, dimethylethyl- I.E-6
3130. 65319-49-5 1 0 0 9H-Fluorene, ethyl- {at least 2 isomers in MSS} I.E-6
3131. 1207-20-1 1 0 0 9H-Fluorene, 2-ethyl- I.E-6
3132. 2294-82-8 1 0 0 9H-Fluorene, 9-ethyl- I.E-6
3133. 71278-01-8 1 0 0 9H-Fluorene, ethylmethyl- {at least 2 isomers in MSS}
I.E-6
3134. 26914-17-0 1 1 1 9H-Fluorene, methyl- I.E-6
3135. 1730-37-6 1 0 0 9H-Fluorene, 1-methyl- I.E-6
3136. 1430-97-3 1 0 0 9H-Fluorene, 2-methyl- I.E-6
3137. 2523-39-9 1 0 0 9H-Fluorene, 3-methyl- I.E-6
3138. 1556-99-6 1 0 0 9H-Fluorene, 4-methyl- I.E-6
123
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3139. 2523-37-7 1 0 0 9H-Fluorene, 9-methyl- I.E-6
3140. 4425-82-5 1 0 0 9H-Fluorene, 9-methylene- I.E-6
3141. 63372-50-9 1 0 0 9H-Fluorene, tetramethyl- I.E-6
3142. 30582-02-6 1 0 0 9H-Fluorene, trimethyl- I.E-6
3143. 6276-03-5 1 1 1 9H-Fluorene-1-carboxylic acid IV.A-3
3144. 27134-14-1 1 0 0 Fluoren-9-one, ethyl- III-13
3145. 27134-15-2 1 0 0 Fluoren-9-one, ethylmethyl- III-13
3146. 486-25-9 1 1 1 9H-Fluoren-9-one 1
2
3
45
6
7
8
O
9
III-13
3147. 27134-13-0 1 0 0 9H-Fluoren-9-one, dimethyl {5 isomers detected} III-13
3148. 1 0 0 9H-Fluoren-9-one, methyl- {2 isomers detected} III-13
3149. 5501-37-1 1 0 0 9H-Fluoren-9-one, 1-methyl- III-13
3150. 2840-51-9 1 1 1 9H-Fluoren-9-one, 2-methyl- III-13
3151. 1705-89-1 1 0 0 9H-Fluoren-9-one, 3-methyl- III-13
3152. 4269-05-0 1 0 0 9H-Fluoren-9-one, 4-methyl- III-13
3153. 16984-48-8 1 0 0 Fluoride F-1 XVIII.B-3, XX-5
3154. 7782-41-4 1 1 1 Fluorine F2 XVIII.B-3, XX-5
3155. 50-00-0 1 1 1 Formaldehyde H-CH=O III-12
3156. 75-12-7 1 0 0 Formamide H-CO-NH2 XIII-1
3157. 871-71-6 1 0 0 Formamide, N-butyl- H-CO-NH-(CH2)3-CH3 XIII-1
3158. 68-12-2 1 1 1 Formamide, N,N-dimethyl- H-CO-N=(CH3)2 XIII-1
3159. 72693-10-8 1 0 0 Formamide, N-(2-furanylmethyl)- X-2, XIII-1
3160. 123-39-7 1 0 0 Formamide, N-methyl- H-CO-NH-CH3 XIII-1
3161. 10285-87-7 1 0 0 Formamide, N-(3-methylbutyl)- XIII-1
3162. 2591-79-9 1 0 0 Formamide, N-pentyl- H-CO-NH-(CH2)4-CH3 XIII-1
3163. 103-70-8 1 0 0 Formamide, N-phenyl- XIII-1
3164. 6343-54-0 1 0 0 Formamide, N-(phenylmethyl)- XIII-1
3165. 56625-04-8 1 0 0 Formamide, N-(3-pyridinylmethyl)- XIII-3, XVII.B-2
3166. 1 0 0 Formate XX-6
3167. 64-18-6 1 1 1 Formic acid H-COOH IV.A-3
3168. 105-86-2 0 1 0 Formic acid, 3,7-dimethyl-2,6-octadien-1-yl ester V-3
3169. 109-94-4 1 0 0 Formic acid, ethyl ester H-COO-CH2-CH3 V-3
3170. 33467-73-1 0 1 0 Formic acid, 3-hexenyl ester V-3
3171. 629-33-4 0 1 0 Formic acid, hexyl ester H-COO-(CH2)5-CH3 V-3
3172. 107-31-3 1 1 1 Formic acid, methyl ester {methyl formate} H-COO-CH3 V-3
3173. 0 1 0 Formic acid, 3-methylbutyl ester V-3
3174. 625-55-8 1 0 0 Formic acid, 1-methylethyl ester H-COO-CH=(CH3)2 V-3
3175. 638-49-3 0 1 0 Formic acid, pentyl ester H-COO-(CH2)4-CH3 V-3
3176. 104-62-1 0 1 0 Formic acid, 2-phenylethyl ester H-COO-(CH2)2-C6H5 V-3
3177. 104-57-4 0 1 0 Formic acid, phenylmethyl ester {benzyl formate} H-COO-CH2-C6H5 V-3
124
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3178. 1 0 0 Formyl radical HC(O)O XXVII-1
3179. 9037-90-5 0 1 0 D-Fructan II.A-5, VIII-3
3180. 10247-46-8 0 1 0 D-Fructofuranose II.A-5, VIII-3
3181. 71385-82-5 0 1 0 β-D-Fructofuranose, 1-deoxy-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-, (S)-
II.A-5, VIII-3, XVII.B-4
3182. 79082-92-1 0 1 0 β-D-Fructofuranose, 2,6-bis(dihydrogen phosphate) II.A-5, VIII-3
3183. 9001-57-4 0 1 0 β-Fructofuranosidase XXII-2
3184. 79886-47-8 0 1 0 β-D-Fructopyranose, 1-deoxy-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-, (S)-
VIII-3, XVII.B-4
3185. 57-48-7 1 1 1 D-Fructose {levulose}
O
OH
OHCH2OH
OH
OH
II.A-5, VIII-3, X-2
3186. 51767-72-7 0 1 0 D-Fructose, labeled with 13
C, labeled with 13
C {D-Fructose-
13C}
II.A-5, VIII-3, X-2
3187. 29118-61-4 0 1 0 D-Fructose, 1-(2-carboxy-1-pyrrolidinyl)-1-deoxy-, (S)-
II.A-5, VIII-3, XVII.A-4
3188. 488-69-7 0 1 0 D-Fructose, 1,6-bis(dihydrogen phosphate) II.A-5, VIII-3
3189. 70954-04-0 0 1 0 D-Fructose, 1-[(1-carboxy-2-hydroxypropyl)amino]-1-deoxy-, [R-(R*,S*)]-
VIII-3
3190. 34393-27-6 0 1 0 D-Fructose, 1-[(3-amino-1-carboxy-3-oxopropyl)amino]-1-deoxy-, (S)-
VIII-3
3191. 10003-63-1 0 1 0 D-Fructose, 1-[(3-carboxypropyl)amino]-1-deoxy- VIII-3
3192. 70906-15-9 0 1 0 D-Fructose, 1-deoxy-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-, (S)-
II.A-5, VIII-3, XVII.B-4
3193. 643-13-0 0 1 0 D-Fructose, 6-(dihydrogen phosphate) VIII-3
3194. 36119-15-0 0 1 0 D-Fructose, mono(dihydrogen phosphate) VIII-3
3195. 0 1 0 Fructosidase XXII-2
3196. 9033-47-0 0 1 0 β-Fructosidase XXII-2
3197. 2438-80-4 0 1 0 Fucose VIII-3
3198. 110-00-9 1 0 0 Furan
O
X-2
3199. 0 1 0 Furan, C3-alkyl- {3 isomers detected} X-2
3200. 64079-00-1 0 1 0 Furan, butyl- X-2
3201. 0 1 0 Furan, 2,3-diacetyl-5-methyl- CO-CH3
CO-CH3
2
34
H3CO
X-2
3202. 28802-49-5 1 0 0 Furan, dimethyl- X-2
3203. 27252-25-1 0 1 0 Furan, ethyl- X-2
3204. 1 0 0 Furan, ethenyl-methyl- X-2
3205. 1 0 0 Furan, hexenyl-methyl- X-2
3206. 27137-41-3 1 0 0 Furan, methyl- X-2
3207. 64079-01-2 0 1 0 Furan, pentyl- X-2
125
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3208. 27252-26-2 0 1 0 Furan, propyl- X-2
3209. 109-99-9 1 1 1 Furan, tetrahydro- X-2
3210. 0 1 0 Furan, tetrahydro-2-methyl-2-(4-hydroxy-1-pentenyl)-
O
OH
CH3
II.A-5, X-2
3211. 0 1 0 Furan, tetrahydro-2-(3-phenylpropyl)- X-2
3212. 13678-51-8 1 0 0 Furan, 2-(2-furanylmethyl)-5-methyl- X-2
3213. 10504-11-7 1 0 0 Furan, 2-(2-methyl-1-propenyl)- X-2
3214. 4868-20-6 1 0 0 Furan, 2-(3-hexenyl)-5-methyl-, (Z)- X-2
3215. 1197-40-6 1 0 0 Furan, 2,2'-methylenebis- X-2
3216. 110484-93-0 1 0 0 Furan, 2,2'-methylenebis[5-ethyl- X-2
3217. 13679-43-1 1 0 0 Furan, 2,2'-methylenebis[5-methyl- X-2
3218. 121213-25-0 1 0 0 Furan, 2,3-dihydro-2-methoxy- X-2
3219. 34314-83-5 1 0 0 Furan, 2,3-dihydro-4-methyl- X-2
3220. 14920-89-9 1 0 0 Furan, 2,3-dimethyl- X-2
3221. 1708-29-8 1 0 0 Furan, 2,5-dihydro- X-2
3222. 13314-90-4 1 0 0 Furan, 2,5-dihydro-2,5-bis(methylene)- X-2
3223. 13436-43-6 1 0 0 Furan, 2,5-dihydro-2-methoxy- X-2
3224. 1708-30-1 1 0 0 Furan, 2,5-dihydro-2-methyl- X-2
3225. 0 1 0 Furan, 2,5-diethyl- X-2
3226. 625-86-5 1 1 1 Furan, 2,5-dimethyl- X-2
3227. 110484-94-1 1 0 0 Furan, 2-[1-(5-ethyl-2-furanyl)ethyl]-5-methyl- X-2
3228. 4466-24-4 1 1 1 Furan, 2-butyl- X-2
3229. 1487-18-9 1 1 1 Furan, 2-ethenyl- X-2
3230. 1 0 0 Furan, 2-ethenyl-5-methyl- X-2
3231. 13679-86-2 0 1 0 Furan, 2-ethenyltetrahydro-2-methyl-5-(1-methylethenyl)-
X-2
3232. 3208-16-0 1 1 1 Furan, 2-ethyl- X-2
3233. 1703-52-2 1 0 0 Furan, 2-ethyl-5-methyl- X-2
3234. 534-22-5 1 1 1 Furan, 2-methyl- X-2
3235. 0 1 0 Furan, 2-methyl-5 (1-methylethenyl)- X-2
3236. 96-47-9 1 0 0 Furan, 2-methyltetrahydro- X-2
3237. 3777-69-3 0 1 0 Furan, 2-pentyl- X-2
3238. 17113-33-6 1 0 0 Furan, 2-phenyl- X-2
3239. 55484-04-3 1 0 0 Furan, 2-(4-pyridyl)- X-2, XVII.B-2
3240. 42933-00-6
54869-11-3
1 1 1 Furan, 3-(4,8,12-trimethyltridecyl)- {phytofuran} X-2
3241. 930-27-8 1 1 1 Furan, 3-methyl- X-2
3242. 13679-41-9 0 1 0 Furan, 3-phenyl- X-2
3243. 2745-26-8 1 0 0 2-Furanacetic acid IV.A-3, X-2
3244. 617-90-3 1 0 0 2-Furancarbonitrile X-2, XI-2
3245. 13714-86-8 1 0 0 2-Furancarbonitrile, 5-methyl- X-2, XI-2
126
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3246. 39276-09-0 1 0 0 Furancarboxaldehyde III-12 X-2
3247. 98-01-1 1 1 1 2-Furancarboxaldehyde {furfural; 2-furaldehyde}
OCHO
34
5
III-12 X-2
3248. 1 0 0 2-Furancarboxaldehyde, hydroxy- II.A-5, III-12, X-2
3249. 25376-49-2 0 1 0 2-Furancarboxaldehyde, (hydroxymethyl)- II.A-5, III-12, X-2
3250. 26895-04-5 1 0 0 2-Furancarboxaldehyde, methyl- III-12, X-2
3251. 33342-48-2 1 0 0 2-Furancarboxaldehyde, 3-methyl- III-12, X-2
3252. 32529-53-6 1 1 1 2-Furancarboxaldehyde, 5-acetyl- III-12, X-2
3253. 10551-58-3 0 1 0 2-Furancarboxaldehyde, 5-[(acetyloxy)methyl]- III-12, V-3, X-2
3254. 67-47-0 1 1 1 2-Furancarboxaldehyde, 5-(hydroxymethyl)- II.A-5, III-12, X-2
3255. 21300-07-2 0 1 0 2-Furancarboxaldehyde, 5-methoxy- III-12 X-2
3256. 0 1 0 2-Furancarboxaldehyde, 5-methoxy-?-methyl- III-12 X-2
3257. 1917-64-2 0 1 0 2-Furancarboxaldehyde, 5-(methoxymethyl)- III-12 X-2
3258. 620-02-0 1 1 1 2-Furancarboxaldehyde, 5-methyl- III-12, X-2
3259. 498-60-2 1 1 1 3-Furancarboxaldehyde III-12, X-2
3260. 29988-76-9 1 1 1 Furancarboxamide X-2, XIII-1
3261. 609-38-1 1 1 1 2-Furancarboxamide X-2, XIII-1
3262. 26447-28-9 1 1 1 Furancarboxylic acid IV.A-4, X-2
3263. 88-14-2 1 1 1 2-Furancarboxylic acid {furoic acid} IV.A-4, X-2
3264. 61892-61-3 1 0 0 2-Furancarboxylic acid, 2-(acetyloxy)ethyl ester V-3, X-2
3265. 614-99-3 0 1 0 2-Furancarboxylic acid, ethyl ester {ethyl 2-furoate}
V-3, X-2
3266. 71278-16-5 0 1 0 2-Furancarboxylic acid, 3-hydroxy- II.A-5, IV.A-3, X-2
3267. 6338-41-6 1 0 0 2-Furancarboxylic acid, 5-(hydroxymethyl)- II.A-5, IV.A-3, X-2
3268. 1917-15-3 1 0 0 2-Furancarboxylic acid, 5-methyl- IV.A-4, X-2
3269. 611-13-2 1 1 1 2-Furancarboxylic acid, methyl ester {methyl 2-furoate}
V-3, X-2
3270. 3885-29-8 1 0 0 2-Furancarboxylic acid, tetrahydro-5-oxo-, methyl ester
V-3, VI-3, X-2
3271. 488-93-7 1 0 0 3-Furancarboxylic acid IV.A-4, X-2
3272. 6947-94-0 1 0 0 3-Furancarboxylic acid, 2-methyl- IV.A-4, X-2
3273. 636-44-2 1 0 0 3-Furancarboxylic acid, 2,5-dimethyl- IV.A-4, X-2
3274. 4412-96-8 1 0 0 3-Furancarboxylic acid, 3-methyl- IV.A-4, X-2
3275. 21984-93-0 1 0 0 3-Furancarboxylic acid, 5-methyl- IV.A-4, X-2
3276. 13129-23-2 0 1 0 3-Furancarboxylic acid, methyl ester V-3, X-2
3277. 5204-91-1 1 0 0 3-Furancarboxylic acid, tetrahydro-5-oxo-, methyl ester
V-3, VI-3, X-2
3278. 823-82-5 1 1 1 2,5-Furandicarboxaldehyde III-12, X-2
3279. 61892-94-2 1 0 0 3,4-Furandiol, tetrahydro-3-methyl- X-2
3280. 108-31-6 1 1 1 2,5-Furandione {maleic anhydride}
O oO1
2
3 4
5
VII-1
3281. 33765-37-6 0 1 0 2,5-Furandione, 3,4-diethyldihydro-, (E)- VII-1
127
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3282. 108-30-5 1 1 1 2,5-Furandione, dihydro- {succinic anhydride} VII-1
3283. 17347-61-4 1 1 1 2,5-Furandione, dihydro-3,3-dimethyl- VII-1
3284. 7475-92-5 1 1 1 2,5-Furandione, dihydro-3,4-dimethyl- {pyrocinchonic anhydride}
VII-1
3285. 4100-80-5 1 0 0 2,5-Furandione, dihydro-3-methyl- VII-1
3286. 766-39-2 1 1 1 2,5-Furandione, 3,4-dimethyl- VII-1
3287. 3552-33-8 1 1 1 2,5-Furandione, 3-ethyl-4-methyl- VII-1
3288. 616-02-4 1 0 0 2,5-Furandione, 3-methyl- VII-1
3289. 72693-16-4 1 0 0 2,5-Furandione, 3-methyl-4-(phenylmethyl)- VII-1
3290. 16493-20-2 1 0 0 2,5-Furandione, 3-methyl-4-propyl- VII-1
3291. 61679-89-8 1 0 0 2,5-Furandione, 3-propyl- VII-1
3292. 98-02-2 0 1 0 2-Furanmethanethiol X-2, XVIII.A-1
3293. 40795-25-3 1 0 0 Furanmethanol II.A-5, X-2
3294. 98-00-0 1 1 1 2-Furanmethanol {furfuryl alcohol}
OCH2OH1
2
34
5
II.A-5, X-2
3295. 623-17-6 1 1 1 2-Furanmethanol, acetate V-3, X-2
3296. 1 0 0 2-Furanmethanol, 2,3-dihydro-5-methoxy- II.A-5, X-2
3297. 60047-17-8 0 1 0 2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-
II.A-5, X-2
3298. 5989-33-3 0 1 0 2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-, (Z)- {cis-linalool oxide}
II.A-5, X-2
3299. 23007-29-6 0 1 0 2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-, (E)- {trans-linalool oxide}
II.A-5, X-2
3300. 13493-97-5 0 1 0 2-Furanmethanol, formate V-3, X-2
3301. 55664-77-2 0 1 0 2-Furanmethanol, methyl- II.A-5, X-2
3302. 3857-25-8 1 1 1 2-Furanmethanol, 5-methyl- II.A-5, X-2
3303. 54774-28-6 0 1 0 2-Furanmethanol, 5-methyltetrahydro- II.A-5, X-2
3304. 61481-02-5 1 0 0 2-Furanmethanol, 5-(1-pyrrolidinylmethyl)- II.A-5, X-2, XVII.A-4
3305. 97-99-4 1 1 1 2-Furanmethanol, tetrahydro- II.A-5, X-2
3306. 4412-91-3 1 0 0 3-Furanmethanol II.A-5, X-2
3307. 29848-46-2 1 0 0 3-Furanol, tetrahydro-5,5-dimethyl- II.A-5, X-2
3308. 66607-70-3 0 1 0 3-Furanol, tetrahydro-5-[6-hydroxy-3-(1-methylethyl)-1-heptenyl]-5-methyl-
O
CH3OH
CH3
H3C CH3
OH
II.A-5, X-2
3309. 20825-71-2 1 1 1 2(3H)-Furanone {butenolide}
O
O1
3
5
4
VI-3
3310. 1 0 0 2(3H)-Furanone, acetyl- III-13, VI-3
3311. 517-23-7 1 0 0 2(3H)-Furanone, 3-acetyldihydro- III-13, VI-3
3312. 7400-67-1 1 0 0 2(3H)-Furanone, 4-acetyldihydro- III-13, VI-3
3313. 29393-32-6 1 1 1 2(3H)-Furanone, 5-acetyldihydro- III-13, VI-3
128
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3314. 19405-99-3 1 0 0 2(3H)-Furanone, 3-(acetyloxy)dihydro- V-3, VI-3
3315. 19405-98-2 1 0 0 2(3H)-Furanone, 4-(acetyloxy)dihydro- V-3, VI-3
3316. 26817-24-3 1 0 0 2(3H)-Furanone, 5-(acetyloxy)dihydro- V-3, VI-3
3317. 61892-43-1 1 0 0 2(3H)-Furanone, 3-(acetyloxy)dihydro-4-hydroxy- II.A-5, V-3, VI-3
3318. 61892-44-2 1 0 0 2(3H)-Furanone, 5-(acetyloxy)dihydro-4-hydroxy- II.A-5, V-3, VI-3
3319. 160115-54-8 0 1 0 2(3H)-Furanone, 3-(acetyloxy)dihydro-5-methyl-5-[3-(1-methylethyl)-6-oxo-1-heptenyl]-, [3R-
[3α,5β(1E,3S*)]]-
III-13, V-3, VI-3
3320. 160224-93-1 0 1 0 2(3H)-Furanone, 3-(acetyloxy)dihydro-5-methyl-5-[3-(1-methylethyl)-6-oxo-1-heptenyl]-, [3R-
[3α,5α(1E,3S*)]]-
III-13, V-3, VI-3
3321. 1192-20-7 1 0 0 2(3H)-Furanone, 3-aminodihydro- VI-3, XII-2
3322. 0 1 0 2(3H)-Furanone, 3-(3-butenyl)-dihydro- VI-3
3323. 104-50-7 0 1 0 2(3H)-Furanone, 5-butyldihydro- {γ-octalactone} VI-3
3324. 0 1 0 2(3H)-Furanone, 5-butyldihydro-4-methyl- VI-3
3325. 96-48-0 1 1 1 2(3H)-Furanone, dihydro- {butyrolactone} VI-3
3326. 13092-55-2 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy- II.A-5, VI-3
3327. 17675-99-9 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy-, (Z)- II.A-5, VI-3
3328. 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy-5-(hydroxymethyl)-
II.A-5, VI-3
3329. 61892-57-7 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy-5-(hydroxymethyl)-4-methyl-
II.A-5, VI-3
3330. 18465-71-9 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy-3-methyl-, (3R-Z)-
II.A-5, VI-3
3331. 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy-4-methyl- II.A-5, VI-3
3332. 72693-07-3 1 0 0 2(3H)-Furanone, dihydro-3,4-dimethyl- VI-3
3333. 5145-01-7 1 1 1 2(3H)-Furanone, dihydro-3,5-dimethyl- VI-3
3334. 13861-97-7 0 1 0 2(3H)-Furanone, dihydro-4,4-dimethyl- VI-3
3335. 6971-63-7 1 1 1 2(3H)-Furanone, dihydro-4,5-dimethyl- VI-3
3336. 3123-97-5 0 1 0 2(3H)-Furanone, dihydro-5,5-dimethyl- VI-3
3337. 38273-97-1 0 1 0 2(3H)-Furanone, dihydro-3,3-dimethyl-5-(2-oxopropyl)-
VI-3
3338. 0 1 0 2(3H)-Furanone, dihydro-5-(1,4-dimethyl-1-pentenyl)-
VI-3
3339. 1073-11-6 0 1 0 2(3H)-Furanone, dihydro-5-ethenyl-5-methyl- VI-3
3340. 16496-51-8 0 1 0 2(3H)-Furanone, dihydro-4-ethyl- VI-3
3341. 695-06-7 1 1 1 2(3H)-Furanone, dihydro-5-ethyl- {γ-hexalactone} VI-3
3342. 2610-98-2 0 1 0 2(3H)-Furanone, dihydro-5-ethyl-3-methyl- VI-3
3343. 2865-82-9 0 1 0 2(3H)-Furanone, dihydro-5-ethyl-5-methyl- VI-3
3344. 158815-74-8 0 1 0 2(3H)-Furanone, dihydro-5-(3-ethyl-4-methyl-1-pentenyl)-3-hydroxy-5-methyl-
VI-3
3345. 61892-46-4 1 0 0 2(3H)-Furanone, dihydro-4-ethynyl-5-hydroxy-3-methyl-
VI-3
3346. 0 1 0 2(3H)-Furanone, dihydro-5-(5-heptenyl)- VI-3
129
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3347. 104-67-6 0 1 0 2(3H)-Furanone, dihydro-5-heptyl-
{γ-undecalactone}
VI-3
3348. 706-14-9 0 1 0 2(3H)-Furanone, dihydro-5-hexyl-
{γ-decalactone}
VI-3
3349. 1 0 0 2(3H)-Furanone, dihydro(hydroxy)- II.A-5, VI-3
3350. 1 0 0 2(3H)-Furanone, dihydro(hydroxymethyl)- II.A-5, VI-3
3351. 18132-98-4 1 0 0 2(3H)-Furanone, dihydro-3-(hydroxymethyl)- II.A-5, VI-3
3352. 1608-63-5 0 1 0 2(3H)-Furanone, dihydro-3-(1-methylethyl)- VI-3
3353. 60016-73-1 1 1 1 2(3H)-Furanone, dihydro-(2-oxopropyl)- III-13, VI-3
3354. 25600-22-0 1 0 0 2(3H)-Furanone, dihydro-3-(1-oxopropoxy)-
O
OOC-CH2CH3
O12
34
5
V-3, VI-3
3355. 71385-84-7 1 1 1 2(3H)-Furanone, dihydro-3-(2-oxopropyl)- III-13, VI-3
3356. 65331-00-2 1 0 0 2(3H)-Furanone, dihydro-4-(2-oxopropyl)- III-13, VI-3
3357. 61892-49-7 1 0 0 2(3H)-Furanone, dihydro-5-(1-oxopropyl)- III-13, VI-3
3358. 53155-68-3 0 1 0 2(3H)-Furanone, dihydro-3,4,5-trimethyl-,
(3α,4α,5α)-
VI-3
3359. 19444-84-9 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy- II.A-5, VI-3
3360. 19444-86-1 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-3-(hydroxymethyl)-
II.A-5, VI-3
3361. 1192-42-3 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-3-methyl- II.A-5, VI-3
3362. 6969-43-3 0 1 0 2(3H)-Furanone, dihydro-3-hydroxy-4,4,5-trimethyl- II.A-5, VI-3
3363. 52126-90-6 1 1 1 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl- II.A-5, VI-3
3364. 599-04-2 1 1 1 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (R)-
II.A-5, VI-3
3365. 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-5-(1-hydroxyethyl)-
II.A-5, VI-3
3366. 61892-52-2 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-5-(2-hydroxyethyl)-
II.A-5, VI-3
3367. 61892-50-0 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-5-(2-hydroxyethyl)-5-methyl-
II.A-5, VI-3
3368. 53561-62-9 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-5-methyl- {2 isomers}
II.A-5, VI-3
3369. 158815-71-5 0 1 0 2(3H)-Furanone, dihydro-3-hydroxy-5-methyl-5-[3-(1-methylethyl)-6-oxo-1-heptenyl]-, [3R-
[3α,5β(1E,3S*)]]-
II.A-5, III-13, VI-3
3370. 5469-16-9 1 1 1 2(3H)-Furanone, dihydro-4-hydroxy- II.A-5, VI-3
3371. 3285-47-0 1 0 0 2(3H)-Furanone, dihydro-4-hydroxy-3,3-dimethyl- II.A-5, VI-3
3372. 61892-45-3 1 0 0 2(3H)-Furanone, dihydro-4-hydroxy-3-(hydroxymethyl)-
II.A-5, VI-3
3373. 36679-81-9 1 1 1 2(3H)-Furanone, dihydro-4-(hydroxymethyl)- II.A-5, VI-3
3374. 34945-05-6 1 0 0 2(3H)-Furanone, dihydro-4-hydroxy-4-methyl- II.A-5, VI-3
3375. 0 1 0 2(3H)-Furanone, dihydro-4-(2,5,6-trimethyl-5,6-epoxyoctanyl)-
VI-3, X-2
3376. 50768-69-9 1 0 0 2(3H)-Furanone, dihydro-5-hydroxy- II.A-5, VI-3
3377. 27610-27-1 1 1 1 2(3H)-Furanone, dihydro-5-(1-hydroxyethyl)- II.A-5, VI-3
130
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3378. 61892-47-5 1 0 0 2(3H)-Furanone, dihydro-5-hydroxy-4-methyl- II.A-5, VI-3
3379. 10374-51-3 1 1 1 2(3H)-Furanone, dihydro-5-(hydroxymethyl)- II.A-5, VI-3
3380. 1679-47-6 0 1 0 2(3H)-Furanone, dihydro-3-methyl- VI-3
3381. 1679-49-8 1 1 1 2(3H)-Furanone, dihydro-4-methyl- VI-3
3382. 108-29-2 1 1 1 2(3H)-Furanone, dihydro-5-methyl-
{γ-valerolactone}
VI-3
3383. 0 1 0 2(3H)-Furanone, dihydro-5-methyl-5-(3-oxobutyl)- III-13, VI-3
3384. 0 1 0 2(3H)-Furanone, dihydro-5-methyl-5-(3-methyl-1-butenyl)-
VI-3
3385. 80797-69-9 0 1 0 2(3H)-Furanone, dihydro-5-(3-methyl-1-butenyl)- VI-3
3386. 2429-94-9 0 1 0 2(3H)-Furanone, dihydro-5-(3-methylbutyl)- VI-3
3387. 10547-88-3 0 1 0 2(3H)-Furanone, dihydro-4-(1-methylethyl)- VI-3
3388. 38624-29-2 0 1 0 2(3H)-Furanone, dihydro-5-(1-methylethyl)- VI-3
3389. 0 1 0 2(3H)-Furanone, dihydro-5-(1-methylethyl)-5-(3-methyl-1,2-butadienyl)-
VI-3
3390. 129742-48-9 0 1 0 2(3H)-Furanone, dihydro-5-(1-methylethyl)-5-(3-oxo-1-butenyl)-, (E)-(+)-
III-13, VI-3
3391. 2305-05-7 0 1 0 2(3H)-Furanone, dihydro-5-octyl- {γ-dodecalactone}
VI-3
3392. 76710-90-2 0 1 0 2(3H)-Furanone, dihydro-5-(2-pentenyl)-, (Z)- VI-3
3393. 104-61-0 0 1 0 2(3H)-Furanone, dihydro-5-pentyl-
{γ-nonalactone}
VI-3
3394. 105-21-5 1 1 1 2(3H)-Furanone, dihydro-5-propyl-
{γ-heptalactone}
VI-3
3395. 20971-79-3 1 0 0 2(3H)-Furanone, dihydro-5-(3-pyridinyl)- VI-3, XVII.B-2
3396. 61892-55-5 1 0 0 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-4-methyl-
II.A-5, VI-3
3397. 72507-34-7 0 1 0 2(3H)-Furanone, dihydro-5-[1-methyl-4-(1-methylethyl)-7-oxo-2-octenyl]-
III-13, VI-3
3398. 102734-52-1 0 1 0 2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-, [5S-[5R*(1E,4R*,5E,7R*)]]-
II.A-5, III-13, VI-3
O
CH3
H3C CH3
OH
CH3
O
CH3
O
3399. 102734-53-2 0 1 0 2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-, [5S-[5R*(1E,4S*,5E,7R*)]]-
II.A-5, III-13, VI-3
3400. 102734-54-3 0 1 0 2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-, [5R-[5R*(1E,4S*,5E,7S*)]]-
II.A-5, III-13, VI-3
3401. 102734-55-4 0 1 0 2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-, [5R-[5R*(1E,4R*,5E,7S*)]]-
II.A-5, III-13, VI-3
3402. 80744-25-8 0 1 0 2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-
II.A-5, III-13, VI-3
131
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3403. 0 1 0 2(3H)-Furanone, dihydro-5-methyl-5-(5-methyl-2-furanyl)-
VI-3, X-2
3404. 60646-31-3 1 0 0 2(3H)-Furanone, dihydro-5-methyl-5-(1-methylethyl)-, (S)-
VI-3
3405. 57213-51-1 0 1 0 2(3H)-Furanone, dihydro-5-methyl-5-[3-(1-methylethyl)-6-oxo-1-heptenyl]-
III-13, VI-3
CH3
H3C
O
CH3H3C
OO
3406. 3284-93-3 0 1 0 2(3H)-Furanone, dihydro-5-methyl-5-propyl- VI-3
3407. 10008-73-8 1 0 0 2(3H)-Furanone, dihydro-5-methylene- VI-3
3408. 0 1 0 2(3H)-Furanone, dihydro-5-(1,1,3-trimethyl-2-butenyl)-
VI-3
3409. 64291-81-2 0 1 0 2(3H)-Furanone, dihydrodimethyl- VI-3
3410. 0 1 0 2(3H)-Furanone, 3,3-dimethyl- VI-3
3411. 1 1 1 2(3H)-Furanone, 3,4-dimethyl- VI-3
3412. 61892-58-8 1 0 0 2(3H)-Furanone, 3-(hydroxymethyl)-5-methyl- II.A-5, VI-3
3413. 591-12-8 1 1 1 2(3H)-Furanone, 5-methyl-
{4-hydroxy-3-pentenoic acid lactone; α-angelica lactone}
VI-3
3414. 497-23-4 1 1 1 2(5H)-Furanone {crotonolactone} O
O
1
5
43
VI-3
3415. 1 0 0 2(5H)-Furanone, acetyl- III-13, VI-3
3416. 80436-91-5 1 0 0 2(5H)-Furanone, 3-acetyl- III-13, VI-3
3417. 38260-27-4 1 0 0 2(5H)-Furanone, 4-acetyl- III-13, VI-3
3418. 61892-53-3 1 0 0 2(5H)-Furanone, 5-acetyl- III-13, VI-3
3419. 61892-42-0 1 0 0 2(5H)-Furanone, 3-acetyl-4-methyl- III-13, VI-3
3420. 1 0 0 2(5H)-Furanone, 5-butylidene- VI-3
3421. 14668-67-8 1 0 0 2(5H)-Furanone, 3,5-diethyl- VI-3
3422. 1 0 0 2(5H)-Furanone, 3,4-dihydroxy- VI-3
3423. 1575-46-8 1 0 0 2(5H)-Furanone, 3,4-dimethyl- VI-3
3424. 5584-69-0 1 1 1 2(5H)-Furanone, 3,5-dimethyl- VI-3
3425. 10547-85-0 1 1 1 2(5H)-Furanone, 4,5-dimethyl- VI-3
3426. 20019-64-1 0 1 0 2(5H)-Furanone, 5,5-dimethyl- VI-3
3427. 0 1 0 2(5H)-Furanone, 5,5-dimethyl-4-ethyl- VI-3
3428. 6067-11-4 0 1 0 2(5H)-Furanone, 3,4-dimethyl-5-hydroxy-5-pentyl-
OH
OO
II.A-5, VI-3
3429. 14300-74-4 1 0 0 2(5H)-Furanone, 3,4-dimethyl-5-methylene- VI-3
3430. 10547-84-9 1 1 1 2(5H)-Furanone, 3,4-dimethyl-5-pentyl- {dihydrobovolide}
OO
VI-3
132
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3431. 774-64-1 1 1 1 2(5H)-Furanone, 3,4-dimethyl-5-pentylidene- {bovolide}
OO
VI-3
3432. 7935-59-1 0 1 0 2(5H)-Furanone, 3,4-dimethyl-5-pentylidene-, dihydro derivative
VI-3
3433. 66309-74-8 1 0 0 2(5H)-Furanone, 3,4-dimethyl-5-(1-propenyl)- VI-3
3434. 66309-75-9 1 0 0 2(5H)-Furanone, 5-ethenyl- VI-3
3435. 0 1 0 2(5H)-Furanone, 5-ethenyl-3-methyl- VI-3
3436. 0 1 0 2(5H)-Furanone, 4-ethyl- VI-3
3437. 2407-43-4 1 1 1 2(5H)-Furanone, 5-ethyl- VI-3
3438. 0 1 0 2(5H)-Furanone, 4-ethyl-5,5-dimethyl- VI-3
3439. 698-10-2 0 1 0 2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl- VI-3
3440. 14668-66-7 1 0 0 2(5H)-Furanone, 3-ethyl-5-methyl- VI-3
3441. 54467-53-7 0 1 0 2(5H)-Furanone, 4-ethyl-5-methyl- VI-3
3442. 26329-68-0 1 0 0 2(5H)-Furanone, 5-ethyl-3-methyl- VI-3
3443. 52945-87-6 1 0 0 2(5H)-Furanone, 5-ethyl-4-methyl- VI-3
3444. 6066-62-2 1 0 0 2(5H)-Furanone, 5-ethylidene-3,4-dimethyl- VI-3
3445. 71126-48-2 1 0 0 2(5H)-Furanone, 5-ethylidene-3-methyl-, (Z)- VI-3
3446. 28664-35-9 0 1 0 2(5H)-Furanone, 3-hydroxy-4,5-dimethyl- VI-3
3447. 1 0 0 2(5H)-Furanone, 3-hydroxy-5-(1-hydroxyethyl)- IVI-3
3448. 54621-96-4 1 0 0 2(5H)-Furanone, 5-(1-hydroxyethyl)-, [R-(R*,S*)]- II.A-5, VI-3
3449. 1 0 0 2(5H)-Furanone, 3-(hydroxymethyl)- VI-3
3450. 80904-75-2 1 0 0 2(5H)-Furanone, 4-(hydroxymethyl)- II.A-5, VI-3
3451. 22122-36-7 1 1 1 2(5H)-Furanone, 3-methyl- VI-3
3452. 6124-79-4 1 1 1 2(5H)-Furanone, 4-methyl- VI-3
3453. 591-11-7 1 1 1 2(5H)-Furanone, 5-methyl- {β-angelica lactone} VI-3
3454. 108-28-1 1 1 1 2(5H)-Furanone, 5-methylene- {protoanemonin} VI-3
3455. 7754-93-0 0 1 0 2(5H)-Furanone, 3-(1-methylethyl)- VI-3
3456. 10547-89-4 1 1 1 2(5H)-Furanone, 4-(1-methylethyl)- VI-3
3457. 61892-54-4 1 1 1 2(5H)-Furanone, 3-methyl-5-methylene- VI-3
3458. 0 1 0 2(5H)-Furanone, 5-methyl-5-(1-methylethyl)- VI-3
3459. 0 1 0 2(5H)-Furanone, 4-methyl-5-(3-oxobutyl) III-13, VI-3
3460. 0 1 0 2(5H)-Furanone, 5-methyl-4-(3-oxo-4-methylpentyl)- III-13, VI-3
3461. 0 1 0 2(5H)-Furanone, 4-(4-methyl-1-pentyl)- VI-3
3462. 77267-30-2 0 1 0 2(5H)-Furanone, 5-(2-pentenyl)-, (Z)- VI-3
3463. 1963-26-8
21963-26-8
0 1 0 2(5H)-Furanone, 5-pentyl- VI-3
3464. 33488-51-6 1 1 1 2(5H)-Furanone, 3,4,5-trimethyl- VI-3
3465. 50598-50-0 0 1 0 2(5H)-Furanone, 3,5,5-trimethyl- VI-3
3466. 4182-41-6 0 1 0 2(5H)-Furanone, 4,5,5-trimethyl- VI-3
3467. 3511-31-7 1 0 0 3(2H)-Furanone III-13, X-2
3468. 22929-52-8 1 0 0 3(2H)-Furanone, dihydro- III-13, X-2
133
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3469. 1 0 0 3(2H)-Furanone, dihydro-2,5-dimethyl-, (E)- III-13, X-2
3470. 1 0 0 3(2H)-Furanone, dihydro-2,5-dimethyl-, (Z)- III-13, X-2
3471. 3188-00-9 1 1 1 3(2H)-Furanone, dihydro-2-methyl-
{2-methyltetrahydrofuran-3-one} OO
CH3
III-13, X-2
3472. 89364-27-2 1 0 0 3(2H)-Furanone, dihydro-4-methyl- III-13, X-2
3473. 0 1 0 3(2H)-Furanone, dihydro-5-methyl-5-propyl- III-13, X-2
3474. 14400-67-0 1 0 0 3(2H)-Furanone, 2,5-dimethyl- III-13, X-2
3475. 27538-09-6 0 1 0 3(2H)-Furanone, 3-ethyl-4-hydroxy-5-methyl- III-13, X-2
3476. 17678-20-5 1 0 0 3(2H)-Furanone, 4-hydroxy-2-(hydroxymethyl)-5-methyl-
II.A-5, III-13, X-2
3477. 3658-77-3 1 1 1 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl- {furaneol}
II.A-5, III-13, X-2
3478. 484-20-8 0 1 0 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy- X-2
3479. 0 1 0 Furo[3,2-b]furan, tetrahydro-2-acetyl-3a-methyl-5-(1-methylethyl)-
III-13, X-2
CO-CH3
O O
H3C
H3C
CH3
3480. 0 1 0 Furo[3,2-b]furan-2(3H)-methanol, tetrahydro-α,α,3a-trimethyl-5-(1-methylethyl)-
II.A-5, III-13, X-2
O O
OH
CH3
CH3
CH3
H3C
H3C
3481. 60026-27-9 0 1 0 Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-
O O
CH3
O
VI-3, X-2
3482. 0 1 0 Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5-(1-methylethenyl)-
O O
CH3
H3C
H2C
O
VI-3, X-2
3483. 0 1 0 Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5-(1-methylethenyl)-
O O
CH3
H3C
H2C
O
VI-3, X-2
3484. 0 1 0 Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5-(1-methylethyl)-
O O
H3C
H3C
CH3
O
VI-3, X-2
3485. 0 1 0 Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5-(1-methylethyl)-
O O
H3C
H3C
CH3
O
VI-3, X-2
3486. 61893-05-8 1 0 0 1H-Furo[2,3-d]imidazole, 2-methyl-
O
N
CH3
N
H
X-2, XVII.A-4
134
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3487. 72686-97-6 0 1 0 2H-Furo[3,2-c]isobenzofuran-8-methanol,
octahydro-2-methoxy-α,α,3a,5a-tetramethyl-,
(2α,3aα,5aβ,8β,9aS*)-
II.A-5, X-2
3488. 72747-21-8 0 1 0 2H-Furo[3,2-c]isobenzofuran-8-methanol,
octahydro-2-methoxy-α,α,3a,5a-tetramethyl-, [2R-
(2α,3aβ,5aα,8α,9aR*)]-
II.A-5, X-2
3489. 37209-50-0 0 1 0 3aH-Furo[3,2-c]isobenzofuran-8-methanol,
5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-,
acetate, [3aR-(3aα,5aβ,8β,9aR*)]-
II.A-5, X-2
3490. 56857-64-8 0 1 0 3aH-Furo[3,2-c]isobenzofuran-8-methanol,
5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-,
[3aR-(3aα,5aβ,8β,9aR*)]-
II.A-5, X-2
3491. 7440-54-2 1 1 1 Gadolinium Gd XX-5
3492. 9037-55-2 1 1 1 D-Galactan VIII-3
3493. 526-99-8 0 1 0 Galactaric acid HOOC-(CHOH)4-COOH IV.A-3
3494. 0 1 0 Galactitol, 2,3-di-O-methyl- HOH2C-[CH(OCH3]2-(CHOH)2-CH2OH
II.A-5
3495. 0 1 0 Galactitol, 2,4-di-O-methyl- II.A-5
3496. 0 1 0 Galactitol, 2,6-di-O-methyl- HOH2C-CH(OCH3)-(CHOH)3-CH2OCH3
II.A-5
3497. 0 1 0 Galactitol, 2-O-methyl- II.A-5, X-2
3498. 0 1 0 Galactitol, 3-O-methyl- II.A-5, X-2
3499. 0 1 0 Galactitol, 2,3,4,6-tetra-O-methyl- II.A-5, X-2
3500. 0 1 0 Galactitol, 2,3,4-tri-O-methyl- II.A-5, X-2
3501. 0 1 0 Galactitol, 2,3,6-tri-O-methyl- II.A-5, X-2
3502. 0 1 0 Galactitol, 2,4,6-tri-O-methyl- II.A-5, X-2
3503. 9036-66-2 1 1 1 D-Galacto-L-arabinan II.A-5, X-2
3504. 33818-21-2 1 0 0 α-D-Galactofuranose, 1,6-anhydro- II.A-5, X-2
3505. 9040-29-3 0 1 0 D-Galacto-D-gluco-D-mannan II.A-5, X-2
3506. 644-76-8 1 0 0 β-D-Galactopyranose, 1,6-anhydro- II.A-5, X-2
3507. 26656-33-7 0 1 0 D-Galactopyranuronic acid, homopolymer II.A-5, X-2
3508. 1948-54-5 0 1 0 Galactose, 2-amino-2-deoxy- II.A-5, X-2, XII-2
3509. 35381-83-0 0 1 0 Galactose, diether with 1,2,3-propanetriol (1:2) II.A-5, X-2
3510. 59-23-4 1 1 1 D-Galactose II.A-5, X-2
3511. 7535-00-4 0 1 0 D-Galactose, 2-amino-2-deoxy- {galactosamine}
II.A-5, X-2, XII-2
3512. 1949-89-9 0 1 0 D-Galactose, 2-deoxy- II.A-5, X-2
3513. 9001-34-7 0 1 0 Galactosidase XXII-2
3514. 97234-09-8 0 1 0 D-Galactoside, [(1-oxohexadecatrienyl)oxy][(1-oxooctadecatrienyl)oxy]propyl, (all-Z)-
II.A-5, X-2
3515. 97234-10-1 0 1 0 D-Galactoside, [(1-oxohexadecyl)oxy][(1-oxooctadecatrienyl)oxy]propyl, (Z,Z,Z)-
II.A-5, X-2
3516. 97276-55-6 0 1 0 D-Galactoside, [(1-oxooctadecadienyl)oxy][(1-oxooctadecatrienyl)oxy]propyl, (all-Z)-
II.A-5, X-2
135
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3517. 97232-94-5 0 1 0 D-Galactoside, 2,3-bis[(1-oxooctadecadienyl)oxy]propyl O-D-galactosyl-, (all-Z)-
II.A-5, X-2
3518. 97170-15-5 0 1 0 D-Galactoside, 2,3-bis[(1-oxooctadecadienyl)oxy]propyl, (all-Z)-
II.A-5, X-2
3519. 97233-43-7 0 1 0 D-Galactoside, 2,3-bis[(1-oxooctadecatrienyl)oxy]propyl O-D-galactosyl-, (all-Z)-
II.A-5, X-2
3520. 97170-14-4 0 1 0 D-Galactoside, 2,3-bis[(1-oxooctadecatrienyl)oxy]propyl, (all-Z)-
II.A-5, X-2
3521. 97275-71-3 0 1 0 D-Galactoside, 2,3-dihydroxypropyl, 2'(or 3')-hexadecanoate 3' (or 2')-octadecadienoate, (Z,Z)-
II.A-5, X-2
3522. 14982-50-4 0 1 0 Galacturonic acid
O
COOH
OH
OH
HO
OH
II.A-5, IV.A-3, X-2
3523. 25990-10-7 0 1 0 Galacturonic acid, homopolymer II.A-5, IV.A-3, X-2
3524. 685-73-4 1 1 1 D-Galacturonic acid II.A-5, IV.A-3, X-2
3525. 34150-36-2 0 1 0 D-Galacturonic acid, anhydro- II.A-5, IV.A-3, X-2
3526. 25249-06-3 0 1 0 D-Galacturonic acid, homopolymer II.A-5, IV.A-3, X-2
3527. 7440-55-3 1 1 1 Gallium XX-5
3528. 152347-17-6 0 1 0 GenBank D16204 XXII-2
3529. 152347-18-7 0 1 0 GenBank D16205 XXII-2
3530. 152347-16-5 0 1 0 GenBank D16206 XXII-2
3531. 143787-54-6 0 1 0 GenBank L02124 XXII-2
3532. 150472-46-1 0 1 0 GenBank L13439 XXII-2
3533. 150472-47-2 0 1 0 GenBank L13440 XXII-2
3534. 150472-48-3 0 1 0 GenBank L13441 XXII-2
3535. 150472-49-4 0 1 0 GenBank L13442 XXII-2
3536. 150472-50-7 0 1 0 GenBank L13443 XXII-2
3537. 149241-78-1 0 1 0 GenBank L14953 XXII-2
3538. 0 1 0 GenBank M73791 XXII-2
3539. 144680-39-7 0 1 0 GenBank M74102 XXII-2
3540. 144680-37-5 0 1 0 GenBank M74103 XXII-2
3541. 142693-30-9 0 1 0 GenBank M84650 XXII-2
3542. 145767-36-8 0 1 0 GenBank M87838 XXII-2
3543. 145767-40-4 0 1 0 GenBank M87839 XXII-2
3544. 141683-31-0 0 1 0 GenBank M94135 XXII-2
3545. 0 1 0 GenBank X58527 XXII-2
3546. 139854-77-6 0 1 0 GenBank X60057 XXII-2
3547. 140352-16-5 0 1 0 GenBank X61113 XXII-2
3548. 140352-17-6 0 1 0 GenBank X61114 XXII-2
3549. 139857-64-0 0 1 0 GenBank X61750 XXII-2
3550. 0 1 0 GenBank X61826 XXII-2
136
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3551. 140360-05-0 0 1 0 GenBank X62339 XXII-2
3552. 141005-27-8 0 1 0 GenBank X62368 XXII-2
3553. 140104-46-7 0 1 0 GenBank X62395 XXII-2
3554. 0 1 0 GenBank X62500 XXII-2
3555. 142965-21-7 0 1 0 GenBank X63078 XXII-2
3556. 145905-43-7 0 1 0 GenBank X63607 XXII-2
3557. 139867-08-6 0 1 0 GenBank X64398 XXII-2
3558. 139869-01-5 0 1 0 GenBank X64399 XXII-2
3559. 140830-68-8 0 1 0 GenBank X64423 XXII-2
3560. 0 1 0 GenBank X64621 XXII-2
3561. 141164-37-6 0 1 0 GenBank X65117 XXII-2
3562. 141164-36-5 0 1 0 GenBank X65118 XXII-2
3563. 147904-32-3 0 1 0 GenBank X65982 XXII-2
3564. 144031-18-5 0 1 0 GenBank X66145 XXII-2
3565. 143341-50-8 0 1 0 GenBank X67158 XXII-2
3566. 151468-68-7 0 1 0 GenBank X69971 XXII-2
3567. 148757-17-9 0 1 0 GenBank X71015 XXII-2
3568. 0 1 0 GenBank Z11803 XXII-2
3569. 142914-46-3 0 1 0 GenBank Z12619 XXII-2
3570. 142914-45-2 0 1 0 GenBank Z12623 XXII-2
3571. 152651-60-0 0 1 0 GenBank Z14079 XXII-2
3572. 152651-59-7 0 1 0 GenBank Z14080 XXII-2
3573. 152651-58-6 0 1 0 GenBank Z14081 XXII-2
3574. 152651-57-5 0 1 0 GenBank Z14082 XXII-2
3575. 152651-61-1 0 1 0 GenBank Z14085 XXII-2
3576. 148544-79-0 0 1 0 GenBank Z16403 XXII-2
3577. 148544-80-3 0 1 0 GenBank Z16404 XXII-2
3578. 554-91-6 0 1 0 Gentiobiose II.A-5, X-2
3579. 7440-56-4 1 1 1 Germanium Ge XX-5
3580. 19147-78-5 0 1 0 Gibbane-1,10-dicarboxylic acid, 2,3-epoxy-4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,
(1α,2β,3β,4aα,4bβ,10β)-
II.A-5, VI-3
3581. 545-97-1 0 1 0 Gibbane-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone,
(1α,2β,4aα,4bβ,10β)-
II.A-5, VI-3
3582. 468-44-0 0 1 0 Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-,1,4a-lactone,
(1α,2β,4aα,4bβ,10β)-.
II.A-5, VI-3 COOH
OH
OO
CH3
H2C
3583. 561-56-8 0 1 0 Gibb-2-ene-1,10-dicarboxylic acid, 4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,
(1α,4aα,4bβ,10β)-
II.A-5, VI-3
137
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3584. 77-06-5 0 1 0 Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone,
(1α,2β,4aα,4bβ,10β)- {gibberellic acid}
II.A-5, VI-3 O
HO OHO
COOH
3585. 125-67-7 0 1 0 Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, potassium salt
{gibberellic acid, potassium salt}
II.A-5, VI-3, XXI-3 O
HO OHO
COOH
3586. 510-75-8 0 1 0 Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,
(1α,2β,4aα,4bβ,10β)-
II.A-5, VI-3
3587. 9007-83-4 0 1 0 Globulins, γ- XXII-2
3588. 9037-91-6 0 1 0 Glucan II.A-5, VIII-3
3589. 9051-97-2 0 1 0 β-D-Glucan, (1→3)- II.A-5, VIII-3
3590. 9044-93-3 0 1 0 β-1,3-Glucanase XXII-2
3591. 128512-83-4 0 1 0 Glucanase, endo-1,3-β-(tobacco clone pGL31 isoenzyme)
XXII-2
3592. 128512-84-5 0 1 0 Glucanase, endo-1,3-β- (tobacco clone pGL36 isoenzyme)
XXII-2
3593. 128512-85-6 0 1 0 Glucanase, endo-1,3-β- (tobacco clone pGL43 isoenzyme)
XXII-2
3594. 128512-86-7 0 1 0 Glucanase, endo-1,3-β- (tobacco isoenzyme) XXII-2
3595. 62213-14-3 0 1 0 Glucanase, endo-1,3(4)-β- XXII-2
3596. 128475-00-3 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pBSGlu39.1 isoenzyme signal peptide)
XXII-2
3597. 128475-01-4 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pBSGlu39.1 isoenzyme signal peptide) 26-L-threonine-28-L-glutamic acid
XXII-2
3598. 128512-87-8 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pBSGlu39.1 isoenzyme protein moiety)
XXII-2
3599. 128512-88-9 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pBSGluc39.3 isoenzyme protein moiety)
XXII-2
3600. 128512-89-0 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pGL31 isoenzyme protein moiety)
XXII-2
3601. 128512-90-3 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pGL36 isoenzyme protein moiety)
XXII-2
3602. 128512-91-4 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pGL43 isoenzyme protein moiety)
XXII-2
3603. 128512-92-5 0 1 0 Glucanase, preproendo-1,3-β- (tobacco isoenzyme protein moiety)
XXII-2
3604. 7425-74-3 1 1 1 β-D-Glucofuranose, 1,6-anhydro- II.A-5, X-2
3605. 66537-22-2 1 1 1 Glucometasaccharinic acid, γ-lactone II.A-5, VI-3, X-2
138
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3606. 492-62-6 0 1 0 α-D-Glucopyranose
O
OH
OH
HO
OH
HOCH2
II.A-5, X-2
3607. 492-61-5 0 1 0 β-D-Glucopyranose II.A-5, X-2
3608. 0 1 0 α-D-Glucopyranose, 1-acetate 2,3,4,6-tetrakis((+)-3-methylbutanoate)
V-3
3609. 28977-67-5 1 1 1 β-D-Glucopyranose, 6-acetate 2,3,4-tris((+)-3-methylvalerate)
β-D-Glucopyranose, 6-acetate 2,3,4-tris((+)-3-methylpentanoate)
V-3
3610. 25545-13-5 0 1 0 D-Glucopyranose, 4-(4-hydroxybenzoate) V-3
3611. 23445-11-6 0 1 0 β-D-Glucopyranose, 1-(2,5-dihydroxybenzoate) V-3
3612. 41682-52-4 0 1 0 β-D-Glucopyranose, 1-(3-phenyl-2-propenoate) V-3
3613. 59-56-3 0 1 0 α-D-Glucopyranose, 1-(dihydrogen phosphate) V-3
3614. 498-07-7 1 1 1 β-D-Glucopyranose, 1,6-anhydro- {levoglucosan} OH
HO
O
HO
O
II.A-5, X-2
3615. 61891-55-2 1 0 0 β-D-Glucopyranose, 1,6-anhydro-, monoacetate V-3
3616. 10139-18-1 0 1 0 α-D-Glucopyranose, 1,6-bis(dihydrogen phosphate) V-3
3617. 21056-52-0 0 1 0 β-D-Glucopyranose, 1-benzoate V-3
3618. 33-99-3 0 1 0 β-D-Glucopyranose, 4-O-α-D-glucopyranosyl- II.A-5, X-2
3619. 4482-75-1 0 1 0 α-D-Glucopyranose, 4-O-α-D-glucopyranosyl- II.A-5, X-2
3620. 0 1 0 α-D-Glucopyranose, 1,2,3,4,5-penta((+)-3-methylbutanoate)
V-3
3621. 64461-84-3 0 1 0 β-D-Glucopyranose, 6-(3-phenyl-2-propenoate) V-3
3622. 0 1 0 α-D-Glucopyranose, 1,3,4,6-tetrakis((+)-3-methylbutanoate)
V-3
3623. 0 1 0 α-D-Glucopyranose, 2,3,4,5-tetrakis((+)-3-methylbutanoate)
V-3
3624. 0 1 0 β-D-Glucopyranose, 2,3,4,5-tetrakis((+)-3-methylbutanoate)
V-3
3625. 7724-09-6 0 1 0 β-D-Glucopyranoside, (2-hydroxyphenyl)methyl- II.A-5, IX.A-22, X-2
3626. 7073-61-2 1 1 1 β-D-Glucopyranoside, (3β)-cholest-5-en-3-yl- {cholesteryl glucoside}
II.A-5, X-2
3627. 1 1 1 β-D-Glucopyranoside, (3β)-ergost-5-en-3-yl- {campesteryl glucoside}
II.A-5, X-2
3628. 0 1 0 β-D-Glucopyranoside, 3-hexen-1-yl-
{3-hexen-1-yl glucoside; leaf acid glucoside}
II.A-5, X-2
3629. 474-58-8 1 1 1 β-D-Glucopyranoside, (3β)-stigmast-5-en-3-yl-
{β-sitosteryl glucoside}
II.A-5, X-2
O
O
OH
HO OH
HOCH2
H3C
H3CCH-CH2CH2-CH-CH=(CH3)2
CH3 C2H5
139
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3630. 19716-26-8 1 1 1 β-D-Glucopyranoside, (3β,22E)-stigmasta-5,22-dien-3-yl- {stigmasteryl glucoside}
II.A-5, X-2
O
O
OH
HO OH
HOCH2
H3C
H3CCH-CH=CH-CH-CH=(CH3)2
CH3 C2H5
3631. 51064-38-1 1 1 1 β-D-Glucopyranoside, (3β,24S)-stigmast-5-en-3-yl- {γ-sitosteryl glucoside}
II.A-5, X-2
O
O
OH
HO OH
HOCH2
H3C
H3CCH-CH2CH2-CH-CH=(CH 3)2
CH3
C2H5
3632. 57-50-1 1 1 1 α-D-Glucopyranoside, β-D-fructofuranosyl- {sucrose}
II.A-5, X-2
O
O O
OH
HOOH
HO
HO
CH2OH
HOH2C
HOH2C
3633. 126-14-7 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, octaacetate
V-3
3634. 470-55-3 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-O-α-D-
galactopyranosyl-(1→6)-O-α-D-galactopyranosyl-
(1→6)-
II.A-5, X-2
3635. 512-69-6 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-O-α-D-
galactopyranosyl-(1→6)- {raffinose}
II.A-5, X-2
3636. 13101-54-7 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-O-α-D-
glucopyranosyl-(1→4)-
II.A-5, X-2
3637. 25954-44-3 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-O-β-D-
glucopyranosyl-(1→6)-
II.A-5, X-2
3638. 98913-58-7 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, 3-methylpentanoate
II.A-5, V-3, X-2
3639. 154063-13-5 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, 6-acetate 2,3,4-tris(2-methylbutanoate)
II.A-5, V-3, X-2
3640. 97614-61-4 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, 6-acetate 2,3,4-tris(3-methylpentanoate)
II.A-5, V-3, X-2
3641. 106033-38-9 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, 6-acetate 2,3,4-tris(3-methylpentanoate), [2(S),3(S),4(S)]-
II.A-5, V-3, X-2
3642. 41055-68-9 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, labeled with
13C
II.A-5, X-2
3643. 21291-36-1 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-O-α-D-
glucopyranosyl-(1→6)-
II.A-5, X-2
3644. 88848-61-7 0 1 0 β-D-Glucopyranoside, 1,2,3,4,5,6,7,8-octahydro-3-hydroxy-1-methyl-7-(1-methylethenyl)-2-
naphthalenyl 2-O-β-D-glucopyranosyl-, [1S-
(1α,2β,3α,7β)]-
II.A-5, X-2
140
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3645. 99499-89-5 0 1 0 β-D-Glucopyranoside, 1,2,3,4,5,6,7,8-octahydro-3-hydroxy-1-methyl-7-(1-methylethenyl)-2-
naphthalenyl O-6-deoxy-α-L-mannopyranosyl-
(1→4)-O-β-D-glucopyranosyl-(1→4)-, [1S-
(1α,2β,3α,7β)]-
II.A-5, X-2
3646. 138-52-3 0 1 0 β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl- II.A-5, X-2
3647. 136448-99-2 0 1 0 β-D-Glucopyranoside, 2-[5-(acetyloxy)-1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-2-naphthalenyl]-2-hydroxypropyl-, 2,3,4,6-
tetraacetate, [2R-[2α(S*),5α,8β,8aα]]-
II.A-5, V-3, X-2
3648. 75039-16-6 0 1 0 β-D-Glucopyranoside, 2-methyl-4-(1H-purin-6-ylamino)-2-butenyl-, mono(dihydrogen phosphate) (ester), (E)-
II.A-5, V-3, X-2
3649. 62512-96-3 0 1 0 β-D-Glucopyranoside, 2-methyl-4-(1H-purin-6-ylamino)butyl-
II.A-5, X-2, XII-2
3650. 78081-83-1 0 1 0 β-D-Glucopyranoside, 3-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-1-methyl-2-propenyl-
II.A-5, X-2
3651. 63648-83-9 0 1 0 α-D-Glucopyranoside, 3-O-acetyl-β-D-fructofuranosyl-
II.A-5, X-2
3652. 470-57-5 0 1 0 α-D-Glucopyranoside, O-α-D-galactopyranosyl-
(1→6)-β-D-fructofuranosyl- {theanderose}
II.A-5, X-2
3653. 1464-44-4 0 1 0 β-D-Glucopyranoside, phenyl- II.A-5, X-2
3654. 1405-86-3 0 1 0 2-O-β-D-Glucopyranuronysyl-α-D-
glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-
{glycyrrhizic acid; glycyrrhizin}
II.A-5, III-13, IV.A-3, X-2
O
OH
COOH
O
O
H3C CH3
CH3
H3C CH3
CH3
O
HO
OH OH
HOOC
HO
H3C COOH
O
3655. 53596-04-0 0 1 0 2-O-β-D-Glucopyranuronysyl-α-D-
glucopyranosiduronic acid, ammoniated (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-, ammoniated
{glycyrrhizic acid ammoniated; glycyrrhizin ammoniated}
X-2
3656. 50-99-7
26655-34-5
1 1 1 α-D-Glucose II.A-5, X-2
3657. 0 1 0 Glucose, labeled with 13
C {Glucose-13
C} VIII-3
3658. 0 1 0 α-D-Glucose, labeled with 14
C { α-D-Glucose-14
C} XXV-29
3659. 154-17-6 0 1 0 D-Glucose, 2-deoxy- II.A-5, X-2
3660. 3416-24-8 0 1 0 D-Glucose, 2-deoxy-, 2-amino- {glucosamine} II.A-5, X-2, XII-2
3661. 1398-61-4 0 1 0 D-Glucose, β-(1,4)-2-acetamido-2-deoxy- II.A-5, X-2, XIII-1
3662. 28905-12-6 1 1 1 β-D-Glucose II.A-5, X-2
3663. 9001-22-3 0 1 0 Glucosidase, β- XXII-2
3664. 9001-42-7 0 1 0 Glucosidase, α- XXII-2
3665. 9012-47-9 0 1 0 Glucosidase, amylo-1,6- XXII-2
141
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3666. 9031-48-5 0 1 0 Glucosyltransferase XXII-2
3667. 9027-19-4 0 1 0 Glucosyltransferase, uridine diphosphoglucose-1,4-
β-glucan
XXII-2
3668. 50812-18-5 0 1 0 Glucosyltransferase, uridine diphosphoglucose-flavonol 3-O-glucoside
XXII-2
3669. 9030-05-1 0 1 0 Glucosyltransferase, uridine diphosphoglucose-fructose
XXII-2
3670. 9030-06-2 0 1 0 Glucosyltransferase, uridine diphosphoglucose-fructose phosphate
XXII-2
3671. 146480-37-7 0 1 0 Glucosyltransferase, uridine diphosphoglucose-salicylate 3-
XXII-2
3672. 37294-28-3 0 1 0 Glucoxylan II.A-5, VIII-3
3673. 576-37-4 0 1 0 Glucuronic acid
O
OH
OH
OH
HO
HOOC
II.A-5, IV.A-3, X-2
3674. 28905-07-9 0 1 0 α-D-Glucuronic acid, methyl ester II.A-5, V-3, X-2
3675. 9001-45-0 0 1 0 Glucuronidase, β- XXII-2
3676. 32449-92-6 0 1 0 D-Glucurono-3,6-lactone O
OH
OH
O
OH
O
II.A-5, VI-3, X-2
3677. 62930-75-0 0 1 0 Glucuronomannan II.A-5, VIII-3
3678. 77272-02-7 0 1 0 Glucuronomannoarabinan II.A-5, VIII-3
3679. 6899-05-4 1 1 1 Glutamic acid HOOC-(CH2)2-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
3680. 56-86-0 0 1 0 L-Glutamic acid IV.A-3, IV.B-7, XII-2
3681. 997-68-2 0 1 0 L-Glutamic acid, N-(5-amino-5-carboxypentyl)-, (S)- IV.A-3, IV.B-7, XII-2
3682. 58-05-9 0 1 0 L-Glutamic acid, N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
IV.A-3, IV.B-7, XII-2
3683. 1116-22-9 0 1 0 L-Glutamic acid, N-L-γ-glutamyl- IV.A-3, IV.B-7, XII-2
3684. 3929-61-1 0 1 0 L-Glutamic acid, N-L-α-glutamyl- IV.A-3, IV.B-7, XII-2
3685. 6899-04-3 0 1 0 Glutamine H2N-OC-(CH2)2-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2, XIII-1
3686. 56-85-9 1 1 1 L-Glutamine IV.A-3, IV.B-7, XII-2
3687. 9046-27-9 0 1 0 Glutamyltransferase, γ- XXII-2
3688. 9061-41-0 0 1 0 Glutenin XXII-2
3689. 56-40-6 1 1 1 Glycine H2N-CH2-COOH IV.A-3, IV.B-7, XII-2
3690. 18875-39-3 0 1 0 Glycine, labeled with 14
C IV.A-3, IV.B-7, XII-2
3691. 0 1 0 Glycine, N-(1-deoxy-D-fructos-1-yl)- II.A-5, IV.A-3, IV.B-7, XII-2
3692. 88476-94-2 0 1 0 Glycine, N-(1-nitroso-L-prolyl)- IV.A-3, IV.B-7, XV-8, XVII.A-4
3693. 70-18-8 0 1 0 Glycine, N-(N-L-γ-glutamyl-L-cysteinyl)- {glutathione}
IV.A-3, IV.B-7, XII-2, XVIII.A-1
3694. 1071-83-6 0 1 0 Glycine, N-(phosphonomethyl)- IV.A-3, IV.B-7, XII-2
142
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3695. 1118-68-9 0 1 0 Glycine, N,N-dimethyl- (H3C)2=N-CH2-COOH IV.A-3, IV.B-7, XII-2
3696. 73360-07-3 0 1 0 Glycine, N-[2-(2-aminoethoxy)ethenyl]- IV.A-3, IV.B-7, X-1, XII-2
3697. 19246-18-5 0 1 0 Glycine, N-L-cysteinyl- IV.A-3, IV.B-7, XII-2, XVIII.A-1
3698. 20661-60-3 0 1 0 Glycine, N-methyl-N-nitro- XVI-1
3699. 13256-22-9 1 1 1 Glycine, N-methyl-N-nitroso- {NSAR} H3C-N(NO)-CH2-COOH
IV.A-3, IV.B-7, XII-2, XV-8
3700. 1 1 1 Glycine, N-methyl-N-nitroso-, methyl ester H3C-N(NO)-CH2-COO CH3 V-3, XII-2, XV-8
3701. 0 1 0 Glycosidase XXII-2
3702. 9001-97-2 0 1 0 Glycosyltransferase, α-glucan-branching XXII-2
3703. 37347-76-5 0 1 0 Glyoxalase XXII-2
3704. 7440-57-5 1 1 1 Gold Au XX-5
3705. 306-60-5 0 1 0 Guanidine, (4-aminobutyl)- XII-2
3706. 86-01-1 0 1 0 Guanosine 5'-(tetrahydrogen triphosphate) XII-2, XVII.E-8
3707. 7440-58-6 1 1 1 Hafnium Hf XX-5
3708. 9034-32-6 0 1 0 Hemicellulose VIII-3
3709. 63100-39-0 0 1 0 Hemicellulose A VIII-3
3710. 63100-40-3 0 1 0 Hemicellulose B VIII-3
3711. 65058-12-0 0 1 0 Hemicellulose C VIII-3
3712. 629-94-7 1 1 1 Heneicosane H3C-(CH2)19-CH3 I.A-10
3713. 1 0 0 Heneicosane, 2-methyl- H3C-CH(CH3)-(CH2)18-CH3 I.A-10
3714. 1 0 0 Heneicosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)17-CH3 I.A-10
3715. 2363-71-5 1 1 1 Heneicosanoic acid H3C-(CH2)19-COOH 4.A-3
3716. 42233-02-3 1 1 1 Heneicosanoic acid, docosyl ester H3C-(CH2)19-COO-(CH2)21-CH3 V-3
3717. 42232-93-9 1 1 1 Heneicosanoic acid, dodecyl ester H3C-(CH2)19-COO-(CH2)11-CH3 V-3
3718. 42233-00-1 1 1 1 Heneicosanoic acid, eicosyl ester H3C-(CH2)19-COO-(CH2)19-CH3 V-3
3719. 42233-01-2 1 1 1 Heneicosanoic acid, heneicosyl ester H3C-(CH2)19-COO-(CH2)20-CH3 V-3
3720. 1 1 1 Heneicosanoic acid, heptacosyl ester H3C-(CH2)19-COO-(CH2)26-CH3 V-3
3721. 42232-98-4 1 1 1 Heneicosanoic acid, heptadecyl ester H3C-(CH2)19-COO-(CH2)16-CH3 V-3
3722. 1 0 0 Heneicosanoic acid, hexacosyl ester H3C-(CH2)19-COO-(CH2)25-CH3 V-3
3723. 42232-97-3 1 1 1 Heneicosanoic acid, hexadecyl ester H3C-(CH2)19-COO-(CH2)15-CH3 V-3
3724. 42232-99-5 1 1 1 Heneicosanoic acid, nonadecyl ester H3C-(CH2)19-COO-(CH2)18-CH3 V-3
3725. 121878-00-0 1 1 1 Heneicosanoic acid, octacosyl ester H3C-(CH2)19-COO-(CH2)27-CH3 V-3
3726. 1 0 0 Heneicosanoic acid, octadecyl ester H3C-(CH2)19-COO-(CH2)17-CH3 V-3
3727. 1 1 1 Heneicosanoic acid, pentacosyl ester H3C-(CH2)19-COO-(CH2)24-CH3 V-3
3728. 42232-96-2 1 1 1 Heneicosanoic acid, pentadecyl ester H3C-(CH2)19-COO-(CH2)14-CH3 V-3
3729. 42233-04-5 1 1 1 Heneicosanoic acid, tetracosyl ester H3C-(CH2)19-COO-(CH2)23-CH3 V-3
3730. 42232-95-1 1 1 1 Heneicosanoic acid, tetradecyl ester H3C-(CH2)19-COO-(CH2)13-CH3 V-3
3731. 42233-03-4 1 1 1 Heneicosanoic acid, tricosyl ester H3C-(CH2)19-COO-(CH2)22-CH3 V-3
3732. 42232-94-0 1 1 1 Heneicosanoic acid, tridecyl ester H3C-(CH2)19-COO-(CH2)12-CH3 V-3
3733. 36332-94-2 1 1 1 Heneicosanoic acid, 19-methyl- H3C-CH2-CH(CH3)-(CH2)17-COOH IV.A-3
3734. 121877-70-1 1 1 1 Heneicosanoic acid, 19-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)17-COO-(CH2)21-CH3
V-3
143
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3735. 121877-61-0 1 1 1 Heneicosanoic acid, 19-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)17-COO-(CH2)20-CH3
V-3
3736. 6704-01-4 1 1 1 Heneicosanoic acid, 20-methyl- (H3C)2=CH-(CH2)18-COOH IV.A-3
3737. 71278-17-6 1 0 0 Heneicosanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester
V-3
3738. 15594-90-8 1 1 1 1-Heneicosanol H3C-(CH2)19-CH2OH II.A-5
3739. 1599-68-4 1 0 0 1-Heneicosene H3C-(CH2)18-CH=CH2 I.B-1
3740. 1 0 0 1-Heneicosene, 2-methyl- H2C=C(CH3)-(CH2)18-CH3 I.B-1
3741. 1 0 0 2-Heneicosene, (Z)- H3C-CH=CH-(CH2)17-CH3 I.B-1
3742. 1 0 0 2-Heneicosene, (E)- I.B-1
3743. 1 0 0 2-Heneicosene, 2-methyl- H3C-C(CH3)H=CH-(CH2)17-CH3 I.B-1
3744. 1 0 0 2-Heneicosene, 19-methyl-,(Z)- H3C-CH=CH-(CH2)15-CH(CH3)-CH2-CH3 I.B-1
3745. 1 0 0 2-Heneicosene, 19-methyl-, (E)- I.B-1
3746. 1 0 0 2-Heneicosene, 20-methyl-, (Z)- H3C-CH=CH-(CH2)16-CH(CH3)2 I.B-1
3747. 1 0 0 2-Heneicosene, 20-methyl-, (E)- I.B-1
3748. 28984-67-0 1 1 1 Heneicosenoic acid IV.A-3
3749. 66288-40-2 1 0 0 Heneicosenoic acid, 19-methyl- IV.A-3
3750. 66288-41-3 1 0 0 Heneicosenoic acid, 20-methyl- IV.A-3
3751. 1 0 0 Hentetracontane H3C-(CH2)39-CH3 I.A-10
3752. 6704-02-5 1 0 0 5,9,13,17,21,25,29-Hentriacontaheptaen-2-one, 6,10,14,18,22,26,30-heptamethyl-
III-13
3753. 630-04-6 1 1 1 Hentriacontane H3C-(CH2)29-CH3 I.A-10
3754. 1720-12-3 1 1 1 Hentriacontane, 2-methyl- (H3C)2=CH-(CH2)28-CH3 I.A-10
3755. 4981-99-1 1 1 1 Hentriacontane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)27-CH3 I.A-10
3756. 67537-80-8 1 0 0 Hentriacontanoic acid H3C-(CH2)29-COOH IV.A-3
3757. 71278-18-7 1 0 0 Hentriacontanoic acid, hentriacontyl ester H3C-(CH2)29-COO-(CH2)30-CH3 V -3
3758. 502-73-8 1 1 1 16-Hentriacontanone H3C-(CH2)14-CO-(CH2)14-CH3 III-13
3759. 77046-64-1 1 1 1 Hentriacontene I.B-1
3760. 18435-54-6 1 0 0 1-Hentriacontene H3C-(CH2)28-CH=CH2 I.B-1
3761. 1 0 0 1-Hentriacontene, 2-methyl- H2C=C(CH3)-(CH2)28-CH3 I.B-1
3762. 1 0 0 2-Hentriacontene, (Z)- H3C-CH=CH-(CH2)27-CH3 I.B-1
3763. 1 0 0 2-Hentriacontene, (E)- I.B-1
3764. 1 1 1 2-Hentriacontene, 2-methyl- H3C-C(CH3)=CH-(CH2)27-CH3 I.B-1
3765. 1 0 0 2-Hentriacontene, 29-methyl-, (Z)- H3C-CH=CH-(CH2)25-CH(CH3)-CH2-CH3
I.B-1
3766. 1 0 0 2-Hentriacontene, 29-methyl-, (E)- I.B-1
3767. 1 0 0 2-Hentriacontene, 30-methyl-, (Z)- H3C-CH=CH-(CH2)26-CH(CH3)2 I.B-1
3768. 1 0 0 2-Hentriacontene, 30-methyl-, (E)- I.B-1
3769. 7719-93-9 1 1 1 Heptacontane H3C-(CH2)35-CH3 I.A-10
3770. 32304-17-9 1 1 1 5,9,13,17,21,25-Heptacosahexaen-2-one, 6,10,14,18,22,26-hexamethyl-, (all-E)-
III-13
3771. 593-49-7 1 1 1 Heptacosane H3C-(CH2)25-CH3 I.A-10
3772. 1561-00-8 1 1 1 Heptacosane, 2-methyl- (H3C)2=CH-(CH2)24-CH3 I.A-10
144
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3773. 14167-66-9 1 1 1 Heptacosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)23-CH3 I.A-10
3774. 7138-40-1 1 0 0 Heptacosanoic acid H3C-(CH2)25-COOH IV.A-3
3775. 121877-96-1 1 1 1 Heptacosanoic acid, docosyl ester H3C-(CH2)25-COO-(CH2)21-CH3 V-3
3776. 1 1 1 Heptacosanoic acid, dodecyl ester H3C-(CH2)25-COO-(CH2)11-CH3 V-3
3777. 117063-83-9 1 1 1 Heptacosanoic acid, eicosyl ester H3C-(CH2)25-COO-(CH2)19-CH3 V-3
3778. 1 1 1 Heptacosanoic acid, heneicosyl ester H3C-(CH2)25-COO-(CH2)20-CH3 V-3
3779. 1 1 1 Heptacosanoic acid, heptacosyl ester H3C-(CH2)25-COO-(CH2)26-CH3 V-3
3780. 1 1 1 Heptacosanoic acid, heptadecyl ester H3C-(CH2)25-COO-(CH2)16-CH3 V-3
3781. 1 1 1 Heptacosanoic acid, hexacosyl ester H3C-(CH2)25-COO-(CH2)25-CH3 V-3
3782. 1 1 1 Heptacosanoic acid, hexadecyl ester H3C-(CH2)25-COO-(CH2)15-CH3 V-3
3783. 1 1 1 Heptacosanoic acid, nonadecyl ester H3C-(CH2)25-COO-(CH2)18-CH3 V-3
3784. 1 1 1 Heptacosanoic acid, octadecyl ester H3C-(CH2)25-COO-(CH2)17-CH3 V-3
3785. 1 1 1 Heptacosanoic acid, pentacosyl ester H3C-(CH2)25-COO-(CH2)24-CH3 V-3
3786. 1 1 1 Heptacosanoic acid, pentadecyl ester H3C-(CH2)25-COO-(CH2)14-CH3 V-3
3787. 1 1 1 Heptacosanoic acid, tetracosyl ester H3C-(CH2)25-COO-(CH2)231-CH3 V-3
3788. 1 1 1 Heptacosanoic acid, tetradecyl ester H3C-(CH2)25-COO-(CH2)13-CH3 V-3
3789. 1 1 1 Heptacosanoic acid, tricosyl ester H3C-(CH2)25-COO-(CH2)22-CH3 V-3
3790. 1 1 1 Heptacosanoic acid, tridecyl ester H3C-(CH2)25-COO-(CH2)12-CH3 V-3
3791. 121878-01-1 1 1 1 Heptacosanoic acid, 25-methyl-, docosyl ester H3C-CH2CH(CH3)-(CH2)23-COO-(CH2)21-CH3
V-3
3792. 121877-93-8 1 1 1 Heptacosanoic acid, 25-methyl-, heneicosyl ester H3C-CH2CH(CH3)-(CH2)23-COO-(CH2)20-CH3
V-3
3793. 2004-39-9 0 1 0 1-Heptacosanol H3C-(CH2)25-CH2OH II.A-5
3794. 63785-26-2 0 1 0 1-Heptacosanol, 26-methyl- (H3C)2=CH-(CH2)24-CH2OH II.A-5
3795. 542-50-7 0 1 0 14-Heptacosanone H3C-(CH2)12-CO-(CH2)12-CH3 III-13
3796. 67537-80-8 1 0 0 Heptacosene I.B-1
3797. 15306-27-1 1 0 0 1-Heptacosene H3C-(CH2)24-CH=CH2 I.B-1
3798. 1 0 0 2-Heptacosene, (Z)- H3C-CH=CH-(CH2)23-CH3 I.B-1
3799. 1 0 0 2-Heptacosene, (E)- I.B-1
3800. 1 0 0 2-Heptacosene, 2-methyl- H3C-C(CH3)=CH-(CH2)23-CH3 I.B-1
3801. 1 0 0 2-Heptacosene, 25-methyl-, (Z)- H3C-CH=CH-(CH2)21-CH(CH3)-CH2-CH3
I.B-1
3802. 1 0 0 2-Heptacosene, 25-methyl-, (E)- I.B-1
3803. 1 0 0 2-Heptacosene, 26-methyl-, (Z)- H3C-CH=CH-(CH2)22-CH(CH3)2 I.B-1
3804. 1 0 0 2-Heptacosene, 26-methyl-, (E)- I.B-1
3805. 56797-42-3 0 1 0 8,11-Heptadecadienal, (Z,Z)- III-12
3806. 37822-80-3 0 1 0 Heptadecadienoic acid, methyl ester V-3
3807. 629-90-3 0 1 0 Heptadecanal H3C-(CH2)15-CH=O III-12
3808. 629-78-7 1 1 1 Heptadecane H3C-(CH2)15-CH3 I.A-10
3809. 1560-89-0 1 1 1 Heptadecane, 2-methyl- H3C-(CH2)14-CH=(CH3)2 I.A-10
3810. 0 1 0 Heptadecane, 3-methyl- H3C-(CH2)13-CH(CH3)-CH2-CH3 I.A-10
3811. 13287-23-5 1 0 0 Heptadecane, 8-methyl- H3C-(CH2)6-CH(CH3)-(CH2)8-CH3 I.A-10
145
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3812. 506-12-7 1 1 1 Heptadecanoic acid H3C-(CH2)15-COOH IV.A-3
3813. 42218-25-7 1 1 1 Heptadecanoic acid, docosyl ester H3C-(CH2)15-COO-(CH2)21-CH3 V-3
3814. 42232-43-9 1 1 1 Heptadecanoic acid, dodecyl ester H3C-(CH2)15-COO-(CH2)11-CH3 V-3
3815. 36617-53-5 1 1 1 Heptadecanoic acid, eicosyl ester H3C-(CH2)15-COO-(CH2)19-CH3 V-3
3816. 42232-52-0 1 1 1 Heptadecanoic acid, heneicosyl ester H3C-(CH2)15-COO-(CH2)20-CH3 V-3
3817. 1 1 1 Heptadecanoic acid, heptacosyl ester H3C-(CH2)15-COO-(CH2)26-CH3 V-3
3818. 36617-50-2 1 1 1 Heptadecanoic acid, heptadecyl ester H3C-(CH2)15-COO-(CH2)16-CH3 V-3
3819. 121877-64-3 1 1 1 Heptadecanoic acid, hexacosyl ester H3C-(CH2)15-COO-(CH2)25-CH3 V-3
3820. 36617-49-9 1 1 1 Heptadecanoic acid, hexadecyl ester H3C-(CH2)15-COO-(CH2)15-CH3 V-3
3821. 1731-92-6 1 1 1 Heptadecanoic acid, methyl ester H3C-(CH2)15-COO-CH3 V-3
3822. 36617-52-4 1 1 1 Heptadecanoic acid, nonadecyl ester H3C-(CH2)15-COO-(CH2)18-CH3 V-3
3823. 36617-51-3 1 1 1 Heptadecanoic acid, octadecyl ester H3C-(CH2)15-COO-(CH2)17-CH3 V-3
3824. 1 1 1 Heptadecanoic acid, pentacosyl ester H3C-(CH2)15-COO-(CH2)24-CH3 V-3
3825. 36617-48-8 1 1 1 Heptadecanoic acid, pentadecyl ester H3C-(CH2)15-COO-(CH2)14-CH3 V-3
3826. 42232-54-2 1 1 1 Heptadecanoic acid, tetracosyl ester H3C-(CH2)15-COO-(CH2)23-CH3 V-3
3827. 36617-47-7 1 1 1 Heptadecanoic acid, tetradecyl ester H3C-(CH2)15-COO-(CH2)13-CH3 V-3
3828. 42232-53-1 1 1 1 Heptadecanoic acid, tricosyl ester H3C-(CH2)15-COO-(CH2)22-CH3 V-3
3829. 36617-46-6 1 1 1 Heptadecanoic acid, tridecyl ester H3C-(CH2)15-COO-(CH2)12-CH3 V-3
3830. 29709-08-8 1 1 1 Heptadecanoic acid, 15-methyl- H3C-CH2-CH(CH3)-(CH2)13-COOH IV.A-3
3831. 121877-42-7 1 1 1 Heptadecanoic acid, 15-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)20-CH3
V-3
3832. 121877-68-7 1 1 1 Heptadecanoic acid, 15-methyl-, hexacosyl ester H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)25-CH3
V-3
3833. 121877-81-4 1 1 1 Heptadecanoic acid, 15-methyl-, octacosyl ester H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)27-CH3
V-3
3834. 121877-52-9 1 1 1 Heptadecanoic acid, 15-methyl-, tricosyl ester H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)22-CH3
V-3
3835. 2724-58-5 1 1 1 Heptadecanoic acid, 16-methyl- (H3C)2=CH-(CH2)14-COOH IV.A-3
3836. 150462-99-0 0 1 0 Heptadecanoic acid, 16-methyl-, 2-(acetyloxy)-1-(hydroxymethyl)ethyl ester
II.A-5, V-3
3837. 150462-98-9 0 1 0 Heptadecanoic acid, 16-methyl-, 3-(acetyloxy)-2-hydroxypropyl ester
II.A-5, V-3
3838. 121877-46-1 1 1 1 Heptadecanoic acid, 16-methyl-, docosyl ester (H3C)2=CH-(CH2)14-COO-(CH2)21-CH3 V-3
3839. 52458-35-2 0 1 0 Heptadecanoic acid, 16-methyl-, ethyl ester (H3C)2=CH-(CH2)14-COO-C2H5 V-3
3840. 121877-36-9 1 1 1 Heptadecanoic acid, 16-methyl-, heneicosyl ester (H3C)2=CH-(CH2)14-COO-(CH2)20-CH3 V-3
3841. 5129-61-3 0 1 0 Heptadecanoic acid, 16-methyl-, methyl ester (H3C)2=CH-(CH2)14-COO-CH3 V-3
3842. 121877-50-7 1 1 1 Heptadecanoic acid, 16-methyl-, tricosyl ester (H3C)2=CH-(CH2)14-COO-(CH2)22-CH3
V-3
3843. 0 1 0 Heptadecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34- hexatriacontanonaenyl ester
V-3
3844. 71278-19-8 1 0 0 Heptadecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester
V-3
3845. 1454-85-9 1 1 1 1-Heptadecanol H3C-(CH2)15-CH2OH II.A-5
146
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3846. 41744-75-6 1 0 0 1-Heptadecanol, 16-methyl- (H3C)2=CH-(CH2)14-CH2OH II.A-5
3847. 56797-44-5 0 1 0 8,11,14-Heptadecatrienal, (Z,Z,Z)- III-12
3848. 37822-82-5 0 1 0 Heptadecatrienoic acid, methyl ester V-3
3849. 26266-05-7 1 1 1 Heptadecene H-(CH2)15-n-CH=CH-(CH2)n-H I.B-1
3850. 6765-39-5 1 0 0 1-Heptadecene H3C-(CH2)14-CH=CH2 I.B-1
3851. 1 0 0 1-Heptadecene, 2-methyl- H2C=C(CH3)-(CH2)14-CH3 I.B-1
3852. 1 0 0 2-Heptadecene, (Z)- H3C-CH=CH-(CH2)13-CH3 I.B-1
3853. 1 0 0 2-Heptadecene, (E)- I.B-1
3854. 1 0 0 2-Heptadecene, 2-methyl- H3C-C(CH3)=CH-(CH2)13-CH3 I.B-1
3855. 1 0 0 2-Heptadecene, 15-methyl-, (Z)- H3C-CH=CH-(CH2)11-CH(CH3)-CH2-CH3
I.B-1
3856. 1 0 0 2-Heptadecene, 15-methyl-, (E)- I.B-1
3857. 1 0 0 2-Heptadecene, 16-methyl-, (Z)- H3C-CH=CH-(CH2)12-CH(CH3)2 I.B-1
3858. 1 0 0 2-Heptadecene, 16-methyl-, (E)- I.B-1
3859. 36232-39-0 1 0 0 2-Heptadecene, 4-methylene-8,12,16-trimethyl- H3C-CH=CH-C(=CH2)-CH2-{(CH2)2-CH(CH3)-CH2}3-H I.B-1
3860. 26265-99-6 1 1 1 Heptadecenoic acid H-(CH2)14-n-CH=CH-(CH2)n-COOH IV.A-3
3861. 31424-16-5 0 1 0 Heptadecenoic acid, methyl ester H-(CH2)14-n-CH=CH-(CH2)n-COO-CH3 V-3
3862. 4313-03-5
5910-85-0
0 1 0 2,4-Heptadienal O=CH-CH=CH-CH=CH-CH2-CH=O
III-12
3863. 51945-98-3 0 1 0 1,5-Heptadiene-3,4-diol H3C-CH=CH-CHOH-CHOH-CH=CH2
II.A-5
3864. 74630-29-8 0 1 0 1,5-Heptadiene, 3,3,5-trimethyl- H3C-CH=C(CH3)-CH2-C(CH3)2-CH=CH2
I.B-1
3865. 1 0 0 2,4-Heptadiene, 2,6-dimethyl- I.B-1
3866. 72693-11-9 1 1 1 2,5-Heptadienoic acid, 2,3-dimethyl- IV.A-3
3867. 54557-55-0 0 1 0 4,6-Heptadienoic acid, 6-methyl-3-(1-methylethyl)-, (E)-
IV.A-3
3868. 54557-57-2 0 1 0 4,6-Heptadienoic acid, 6-methyl-3-(1-methylethyl)-, methyl ester, (E)-
V-3
3869. 77411-76-8 0 1 0 3,5-Heptadien-2-ol, 2,6-dimethyl- II.A-5
3870. 57935-33-8 0 1 0 4,6-Heptadien-1-ol, 6-methyl-3-(1-methylethyl)-, (E)- II.A-5
3871. 79-78-7 0 1 0 1,6-Heptadien-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- {allylionone}
III-13
3872. 0 1 0 3,5-Heptadien-2-one, 6-methyl-, (Z)- III-13
3873. 1604-28-0 1 1 1 3,5-Heptadien-2-one, 6-methyl-, (E)- (H3C)2=C=CH-CH=CH-CO-CH3 III-13
3874. 0 1 0 4,6-Heptadien-2-one, 5-(1-methylethyl)-7-(tetrahydro-2-methylfuranyl)-
III-13, X-2
3875. 3511-27-1 1 0 0 1,5-Heptadien-3-yne H3C-CH=CH-C≡C-CH=CH2 I.B-1
3876. 111-71-7 1 0 0 Heptanal H3C-(CH2)5-CH=O III-12
3877. 111-68-2 1 1 1 1-Heptanamine H3C-(CH2)6-NH2 XII-2
3878. 142-82-5 1 0 0 Heptane H3C-(CH2)5-CH3 I.A-10
3879. 629-06-1 1 0 0 Heptane, 1-chloro- H3C-(CH2)5-CH2Cl XVIII.B-3
3880. 1 0 0 Heptane, dimethyl- I.A-10
147
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3881. 2213-23-2 0 1 0 Heptane, 2,4-dimethyl- I.A-10
3882. 592-27-8 1 0 0 Heptane, 2-methyl- H3C-(CH2)4-CH=(CH3)2 I.A-10
3883. 15869-80-4 1 0 0 Heptane, 3-ethyl- H3C-(CH2)3-CH=(C2H5)2 I.A-10
3884. 589-81-1 1 0 0 Heptane, 3-methyl- H3C-(CH2)3-CH(CH3)-CH2-CH3 I.A-10
3885. 1632-16-2 0 1 0 Heptane, 3-methylene- H3C-(CH2)3-C(=CH2)-CH2-CH3 I.B-1
3886. 646-20-8 1 0 0 Heptanedinitrile NC-(CH2)5-CN XI-2
3887. 111-16-0 1 0 0 Heptanedioic acid {pimelic acid} HOOC-(CH2)5-COOH IV.A-3
3888. 535-24-0 0 1 0 Heptanedioic acid, 2,6-diamino-3-hydroxy- II.A-5, IV.A-3, XII-2
3889. 96-04-8 1 0 0 2,3-Heptanedione H3C-(CH2)3-CO-CO-CH3 III-13
3890. 7307-02-0 1 0 0 2,4-Heptanedione H3C-(CH2)2-CO-CH2-CO-CH3 III-13
3891. 3002-23-1 0 1 0 2,4-Heptanedione, 6-methyl- (H3C)2=CH-CH2-CO-CH2-CO-CH3 III-13
3892. 0 1 0 2,5-Heptanedione, 4-(1-methylethyl)- III-13
3893. 13901-85-4 0 1 0 2,5-Heptanedione, 6-methyl- (H3C)2=CH-CO-(CH2)2-CO-CH3 III-13
3894. 13505-34-5 1 1 1 2,6-Heptanedione H3C-CO-(CH2)3-CO-CH3 III-13
3895. 0 1 0 2,6-Heptanedione, 3-methyl- H3C-CO-CH(CH3)-(CH2)2-CO-CH3 III-13
3896. 111-14-8 1 1 1 Heptanoic acid {enanthic acid} H3C-(CH2)5-COOH IV.A-3
3897. 0 1 0 Heptanoic acid, 2-ethyl- IV.A-3
3898. 59262-53-2 0 1 0 Heptanoic acid, 3-(1-methylethyl)-6-oxo-, (S)- III-13, IV.A-3
3899. 39815-78-6 0 1 0 Heptanoic acid, 3-oxo-, methyl ester H3C-(CH2)3-CO-CH2-COO-CH3 III-13, V-3
3900. 1070-68-4 0 1 0 Heptanoic acid, 5-methyl- IV.A-3
3901. 42330-36-9 0 1 0 Heptanoic acid, 5-methyl-, (S)- IV.A-3
3902. 929-10-2 0 1 0 Heptanoic acid, 6-methyl- IV.A-3
3903. 3128-07-2 1 0 0 Heptanoic acid, 6-oxo- H3C-CO-(CH2)4-COOH III-13, IV.A-3
3904. 98188-02-4 0 1 0 Heptanoic acid, 7-(2-furanyl)-, methyl ester V-3, X-2
3905. 106-30-9 0 1 0 Heptanoic acid, ethyl ester H3C-(CH2)5-COO-C2H5 V-3
3906. 106-73-0 0 1 0 Heptanoic acid, methyl ester H3C-(CH2)5-COO-CH3 V-3
3907. 111-70-6 1 1 1 1-Heptanol H3C-(CH2)5-CH2OH II.A-5
3908. 1653-40-3 0 1 0 1-Heptanol, 6-methyl- II.A-5
3909. 543-49-7 0 1 0 2-Heptanol H3C-(CH2)4-CHOH-CH3 II.A-5
3910. 110-43-0 1 1 1 2-Heptanone {methyl pentyl ketone} H3C-(CH2)4-CO-CH3 III-13
3911. 52812-44-9 1 0 0 2-Heptanone, 5-(3-acetyloxiranyl)-6-methyl- III-13
3912. 52812-43-8 0 1 0 2-Heptanone, 5-[3-(1-hydroxy-1-methylethyl)oxiranyl]-6-methyl-
II.A-5, III-13, X-2
3913. 0 1 0 2-Heptanone, 5-(2,3-dihydro-4-methyl-6-pyranyl)-6-methyl-
III-13, X-2
3914. 0 1 0 2-Heptanone, 5-(5,6-dihydro-4-methyl-2-pyranyl)-6-methyl-
O
O
H3C
CH3
CH3
H3C
III-13, X-2
3915. 121269-00-9 0 1 0 2-Heptanone, 6-(5-methyl-2-furanyl)- III-13, X-2
3916. 72693-12-0 1 0 0 2-Heptanone, 6-hydroxy- H3C-CHOH-(CH2)3-CO-CH3 II.A-5, III-13
148
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3917. 928-68-7 1 1 1 2-Heptanone, 6-methyl- III-13
3918. 41059-93-2 0 1 0 2-Heptanone, 6-methyl-5-(4-methyl-2-furanyl)- {solanofuran}
OO
III-13, X-2
3919. 106-35-4 1 0 0 3-Heptanone {ethyl butyl ketone} H3C-CH2-CO-(CH2)3-CH3 III-13
3920. 19549-83-8 1 0 0 3-Heptanone, 2,6-dimethyl- III-13
3921. 123-19-3 1 0 0 4-Heptanone {butyrone; dipropyl ketone} H3C-(CH2)2-CO-(CH2)2-CH3 III-13
3922. 108-83-8 1 0 0 4-Heptanone, 2,6-dimethyl- III-13
3923. 1 1 1 Heptatriacontane H3C-(CH2)35-CH3 I.A-10
3924. 24587-25-5 1 0 0 1,3,5-Heptatriene H3C-(CH=CH)2-CH=CH2 I.B-1
3925. 2463-63-0 0 1 0 2-Heptenal H3C-(CH2)3-CH=CH-CH=O III-12
3926. 30567-26-1 1 0 0 2-Heptenal, 2-methyl- H3C-(CH2)3-CH=C(CH3)-CH=O III-12
3927. 34098-52-7 0 1 0 D-xylo-Hept-2-enaric acid, 2,6-anhydro-3-deoxy-
{2H-pyran-2,4-dicarboxylic acid, 3,4-dihydro-3,4-dihydroxy-}
II.A-5
3928. 592-76-7 1 0 0 1-Heptene H2C=CH-(CH2)4-CH3 I.B-1
3929. 592-77-8 1 0 0 2-Heptene H3C-CH=CH-(CH2)3-CH3 I.B-1
3930. 77288-93-8 0 1 0 2-Heptene-1,6-diol, 3-(1-methylethyl)-, (E)- H3C-CHOH-(CH2)2-C[CH(CH3)2] =CH-CH2OH
II.A-5
3931. 21504-51-8 0 1 0 3-Heptene-2,5-dione, 6-methyl- III-13
3932. 25377-46-2 1 1 1 Heptenoic acid IV.A-3
3933. 18999-28-5 0 1 0 2-Heptenoic acid H3C-(CH2)3-CH=CH-COOH IV.A-3
3934. 499-84-3 0 1 0 2-Heptenoic acid, 3-(1-methylethyl)-6-oxo- H3C-CO-(CH2)2-C[CH(CH3)2]=CH-COOH
III-13, IV.A-3
3935. 41654-06-2 0 1 0 2-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, (E)- III-13, IV.A-3
3936. 63892-03-5 0 1 0 2-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, (Z)- III-13, IV.A-3
3937. 35194-37-7 0 1 0 4-Heptenoic acid H3C-CH2-CH=CH-(CH2)2-COOH IV.A-3
3938. 41653-95-6 0 1 0 4-Heptenoic acid, (Z)- IV.A-3
3939. 105728-84-5 0 1 0 4-Heptenoic acid, 6-hydroxy- II.A-5, IV.A-3
3940. 41654-07-3 0 1 0 4-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, (E)- H3C-CO-CH=CH-CH[CH(CH3)2]-CH2-COOH
III-13, IV.A-3
3941. 1119-60-4 0 1 0 6-Heptenoic acid H2C=CH-(CH2)4-COOH IV.A-3
3942. 0 1 0 6-Heptenoic acid, 5-methyl- H2C=CH-CH(CH3)-(CH2)3-COOH IV.A-3
3943. 30414-57-4 0 1 0 6-Heptenoic acid, 3-oxo-, methyl ester H2C=CH-(CH2)2-CO-CH2-COO-CH3
V-3
3944. 1335-09-7 0 1 0 Heptenol, methyl- II.A-5
3945. 33467-78-4 0 1 0 2-Hepten-1-ol (E) H3C-(CH2)3-CH=CH-CH2OH II.A-5
3946. 55454-22-3 0 1 0 2-Hepten-1-ol (Z) II.A-5
3947. 70898-26-9 0 1 0 3-Hepten-2-ol, 5-ethyl-2,6-dimethyl- II.A-5
3948. 0 1 0 3-Hepten-2-ol, 5-(1-methylethy)-2-methyl- II.A-5
3949. 58927-84-7 0 1 0 4-Hepten-2-ol, 6-methyl-, (E)- II.A-5
149
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3950. 1569-60-4 0 1 0 5-Hepten-2-ol, 6-methyl- II.A-5
3951. 42201-30-9 0 1 0 6-Hepten-2-ol, 4-methylene- II.A-5
3952. 57782-61-3 0 1 0 6-Hepten-2-ol, 5-(1-methylethyl)-7-(tetrahydro-2-methyl-2-furanyl)-
II.A-5, X-2
3953. 409-02-9 0 1 0 Heptenone, methyl- III-13
3954. 1119-44-4 0 1 0 3-Hepten-2-one H3C-(CH2)2-CH=CH-CO-CH3 III-13
3955. 129742-47-8 0 1 0 3-Hepten-2-one, 5-ethyl-5-hydroxy-6-methyl-, [R-(E)]-
II.A-5, III-13
3956. 57283-79-1 0 1 0 3-Hepten-2-one, 5-ethyl-6-methyl- III-13
3957. 50767-76-5 0 1 0 3-Hepten-2-one, 5-ethyl-6-methyl-, (E)- III-13
3958. 0 1 0 3-Hepten-2-one, 5-(1-methylethyl)- III-13
3959. 2009-74-7 1 1 1 3-Hepten-2-one, 6-methyl- III-13
3960. 152209-54-6 0 1 0 3-Hepten-2-one, 5-(1-methylethyl)-7-[2-methyl-3-(3-methyl-5-oxo-3-hexenyl)oxiranyl]-, [2S-
[2α(3E,5R*),3β(E)]]-
III-13, X-2
3961. 110-93-0 1 1 1 5-Hepten-2-one, 6-methyl- III-13
3962. 57782-60-2 0 1 0 6-Hepten-2-one, 5-(1-methylethyl)-7-(tetrahydro-2-methyl-2-furanyl)-
O
CH3
CH=CH-CH-(CH2)2-CO-CH
CH3H3C
III-13, X-2
3963. 104669-35-4 0 1 0 6-Hepten-2-one, 5-(1-methylethyl)-7-(tetrahydro-4-hydroxy-2-methyl-2-furanyl)-
II.A-5, III-13, X-2
3964. 160115-55-9 0 1 0 6-Hepten-2-one, 7-[4-(acetyloxy)tetrahydro-5-hydroxy-2-methyl-2-furanyl]-5-(1-methylethyl)-
II.A-5, III-13, X-2
3965. 117210-48-7 0 1 0 6-Hepten-2-one, 7-[tetrahydro-2-methyl-5-(1-methylethyl)-2-furanyl]-
II.A-5, III-13, X-2
3966. 628-71-7 1 0 0 1-Heptyne H3C-(CH2)4-C≡CH I.B-1
3967. 2586-89-2 1 0 0 3-Heptyne H3C-(CH2)2-C≡C-CH2-CH3 I.B-1
3968. 630-01-3 1 1 1 Hexacosane H3C-(CH2)24-CH3 I.A-10
3969. 1561-02-0 1 1 1 Hexacosane, 2-methyl- (H3C)2=CH-(CH2)23-CH3 I.A-10
3970. 65820-56-6 0 1 0 Hexacosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)22-CH3 I.A-10
3971. 506-46-7 1 1 1 Hexacosanoic acid {cerotinic acid} H3C-(CH2)24-COOH IV.A-3
3972. 108657-23-4 1 1 1 Hexacosanoic acid, docosyl ester H3C-(CH2)24-COO-(CH2)21-CH3 V-3
3973. 1 1 1 Hexacosanoic acid, dodecyl ester H3C-(CH2)24-COO-(CH2)11-CH3 V-3
3974. 121877-83-6 1 1 1 Hexacosanoic acid, eicosyl ester H3C-(CH2)24-COO-(CH2)19-CH3 V-3
3975. 1 1 1 Hexacosanoic acid, ester with olean-12-en-3-ol,
(3β)- {β-amyrenyl hexacosanoate)
V3 1
3976. 121877-89-2 1 1 1 Hexacosanoic acid, heneicosyl ester H3C-(CH2)24-COO-(CH2)20-CH3 V-3
3977. 75696-56-9 1 1 1 Hexacosanoic acid, heptacosyl ester H3C-(CH2)24-COO-(CH2)26-CH3 V-3
3978. 1 1 1 Hexacosanoic acid, heptadecyl ester H3C-(CH2)24-COO-(CH2)16-CH3 V-3
3979. 1 1 1 Hexacosanoic acid, hexacosyl ester H3C-(CH2)24-COO-(CH2)25-CH3 V-3
3980. 1 1 1 Hexacosanoic acid, hexadecyl ester H3C-(CH2)24-COO-(CH2)15-CH3 V-3
3981. 1 1 1 Hexacosanoic acid, nonadecyl ester H3C-(CH2)24-COO-(CH2)18-CH3 V-3
3982. 1 1 1 Hexacosanoic acid, octadecyl ester H3C-(CH2)24-COO-(CH2)17-CH3 V-3
150
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
3983. 1 1 1 Hexacosanoic acid, pentacosyl ester H3C-(CH2)24-COO-(CH2)24-CH3 V-3
3984. 1 1 1 Hexacosanoic acid, pentadecyl ester H3C-(CH2)24-COO-(CH2)14-CH3 V-3
3985. 1 1 1 Hexacosanoic acid, tetracosyl ester H3C-(CH2)24-COO-(CH2)23-CH3 V-3
3986. 1 1 1 Hexacosanoic acid, tetradecyl ester H3C-(CH2)24-COO-(CH2)193-CH3 V-3
3987. 121877-97-2 1 1 1 Hexacosanoic acid, tricosyl ester H3C-(CH2)24-COO-(CH2)22-CH3 V-3
3988. 1 1 1 Hexacosanoic acid, tridecyl ester H3C-(CH2)24-COO-(CH2)12-CH3 V-3
3989. 121877-92-7 1 1 1 Hexacosanoic acid, 24-methyl-, docosyl ester V-3
3990. 121877-90-5 1 1 1 Hexacosanoic acid, 24-methyl-, heneicosyl ester V-3
3991. 506-52-5 0 1 0 1-Hexacosanol H3C-(CH2)24-CH2OH II.A-5
3992. 63785-25-1 0 1 0 1-Hexacosanol, 24-methyl- II.A-5
3993. 0 1 0 1-Hexacosanol, 25-methyl- II.A-5
3994. 84808-91-9 1 0 0 Hexacosene I.B-1
3995. 18835-33-1 1 0 0 1-Hexacosene H2C=CH-(CH2)23-CH3 I.B-1
3996. 1 0 0 1-Hexacosene, 2-methyl- H2C=C(CH3)-(CH2)23-CH3 I.B-1
3997. 1 0 0 2-Hexacosene, (Z)- H3C-CH=CH-(CH2)22-CH3 I.B-1
3998. 1 0 0 2-Hexacosene, (E)- I.B-1
3999. 1 0 0 2-Hexacosene, 2-methyl- H3C-C(CH3)=CH-(CH2)22-CH3 I.B-1
4000. 1 0 0 2-Hexacosene, 24-methyl-, (Z)- H3C-CH=CH-(CH2)20-CH(CH3)-CH2-CH3
I.B-1
4001. 1 0 0 2-Hexacosene, 24-methyl-, (E)- I.B-1
4002. 1 0 0 2-Hexacosene, 25-methyl-, (Z)- H3C-CH=CH-(CH2)21-CH(CH3)2 I.B-1
4003. 1 0 0 2-Hexacosene, 24-methyl-, (E)- I.B-1
4004. 30917-33-0 1 0 0 1,3-Hexadecadiene, 2,6,10,14-tetramethyl- H[CH2CH2CH(CH3)CH2] 3-CH=CH-C(CH3)=CH2 I.B-1
4005. 21980-71-2 1 0 0 1,3-Hexadecadiene, 3,7,11,15-tetramethyl-
{phytadiene}
H[CH2CH(CH3)CH2CH2] 3-CH=CH-C(CH3)=CH2 I.B-1
4006. 1 0 0 1,3-Hexadecadiene, 2,6,10-trimethyl- I.B-1
4007. 0 1 0 2,4-Hexadexadiene, 3,7,11,15-tetramethyl- I.B-1
4008. 25377-52-0 1 1 1 Hexadecadienoic acid {palmitolenic acid} IV.A-3
4009. 29961-54-4 0 1 0 Hexadecadienoic acid, methyl ester V-3
4010. 629-80-1 0 1 0 Hexadecanal H3C-(CH2)14-CH=O III-12
4011. 544-76-3 1 1 1 Hexadecane H3C-(CH2)14-CH3 I.A-10
4012. 1560-92-5 0 1 0 Hexadecane, 2-methyl- H3C-(CH2)13-CH=(CH3)2 I.A-10
4013. 0 1 0 Hexadecane, 3-methyl- H3C-(CH2)12-CH(CH3)-CH2-CH3 I.A-10
4014. 638-36-8 1 1 1 Hexadecane, 2,6,10,14-tetramethyl- {phytane} I.A-10
4015. 36232-38-9 1 0 0 Hexadecane, 2,6,10-trimethyl-14-methylene- I.B-1
4016. 60922-91-0 1 0 0 Hexadecane, mixt. with pentane I.A-10
4017. 505-54-4 0 1 0 Hexadecanedioic acid HOOC-(CH2)14-COOH IV.A-3
4018. 57-10-3 1 1 1 Hexadecanoic acid {palmitic acid} H3C-(CH2)14-COOH IV.A-3
4019. 42232-33-7 1 1 1 Hexadecanoic acid, docosyl ester H3C-(CH2)14-COO-(CH2)21-CH3 V-3
4020. 42232-29-1 1 1 1 Hexadecanoic acid, dodecyl ester H3C-(CH2)14-COO-(CH2)11-CH3 V-3
4021. 80252-38-6 1 1 1 Hexadecanoic acid, dotriacontyl ester H3C-(CH2)14-COO-(CH2)31-CH3 V-3
151
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4022. 22413-01-0 1 1 1 Hexadecanoic acid, eicosyl ester H3C-(CH2)14-COO-(CH2)19-CH3 V-3
4023. 628-97-7 1 1 1 Hexadecanoic acid, ethyl ester {ethyl palmitate} H3C-(CH2)14-COO-CH2-CH3 V-3
4024. 42232-32-6 1 1 1 Hexadecanoic acid, heneicosyl ester H3C-(CH2)14-COO-(CH2)20-CH3 V-3
4025. 94632-82-3 1 1 1 Hexadecanoic acid, heptacosyl ester H3C-(CH2)14-COO-(CH2)26-CH3 V-3
4026. 18466-06-3 1 1 1 Hexadecanoic acid, heptadecyl ester H3C-(CH2)14-COO-(CH2)16-CH3 V-3
4027. 60007-87-6 1 1 1 Hexadecanoic acid, hexacosyl ester H3C-(CH2)14-COO-(CH2)25-CH3 V-3
4028. 540-10-3 1 1 1 Hexadecanoic acid, hexadecyl ester H3C-(CH2)14-COO-(CH2)15-CH3 V-3
4029. 23470-00-0 1 0 0 Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester
H3C-(CH2)14-COO-CH=(CH2OH)2 V-3
4030. 28801-93-6 1 1 1 Hexadecanoic acid, methyl- IV.A-3
4031. 112-39-0 1 1 1 Hexadecanoic acid, methyl ester H3C-(CH2)14-COO-CH3 V-3
4032. 1 1 1 Hexadecanoic acid, (1-methylethyl) ester V-3
4033. 36617-44-4 1 1 1 Hexadecanoic acid, nonadecyl ester H3C-(CH2)14-COO-(CH2)18-CH3 V-3
4034. 78509-52-1 1 1 1 Hexadecanoic acid, octacosyl ester H3C-(CH2)14-COO-(CH2)27-CH3 V-3
4035. 2598-99-4 1 1 1 Hexadecanoic acid, octadecyl ester H3C-(CH2)14-COO-(CH2)17-CH3 V-3
4036. 94632-81-2 1 1 1 Hexadecanoic acid, pentacosyl ester H3C-(CH2)14-COO-(CH2)24-CH3 V-3
4037. 18299-77-9 1 1 1 Hexadecanoic acid, pentadecyl ester H3C-(CH2)14-COO-(CH2)14-CH3 V-3
4038. 42232-35-9 1 1 1 Hexadecanoic acid, tetracosyl ester H3C-(CH2)14-COO-(CH2)33-CH3 V-3
4039. 4536-26-9 1 1 1 Hexadecanoic acid, tetradecyl ester H3C-(CH2)14-COO-(CH2)13-CH3 V-3
4040. 84461-48-3 1 1 1 Hexadecanoic acid, tetratriacontyl ester H3C-(CH2)14-COO-(CH2)33-CH3 V-3
4041. 6027-71-0 1 1 1 Hexadecanoic acid, triacontyl ester H3C-(CH2)14-COO-(CH2)29-CH3 V-3
4042. 42232-34-8 1 1 1 Hexadecanoic acid, tricosyl ester H3C-(CH2)14-COO-(CH2)22-CH3 V-3
4043. 36617-38-6 1 1 1 Hexadecanoic acid, tridecyl ester H3C-(CH2)14-COO-(CH2)13-CH3 V-3
4044. 3233-90-7 0 1 0 Hexadecanoic acid, 10,16-dihydroxy- II.A-5, IV.A-3
4045. 5918-29-6 1 1 1 Hexadecanoic acid, 14-methyl- H3C-CH2-CH(CH3)-(CH2)12-COOH IV.A-3
4046. 121877-41-6 1 1 1 Hexadecanoic acid, 14-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)21-CH3
V-3
4047. 121877-33-6 1 1 1 Hexadecanoic acid, 14-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)20-CH3
V-3
4048. 121877-67-6 1 1 1 Hexadecanoic acid, 14-methyl-, heptacosyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)26-CH3
V-3
4049. 121877-58-5 1 1 1 Hexadecanoic acid, 14-methyl-, hexacosyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)25-CH3
V-3
4050. 2490-49-5 1 1 1 Hexadecanoic acid, 14-methyl-, methyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-CH3 V-3
4051. 121877-74-5 1 1 1 Hexadecanoic acid, 14-methyl-, octacosyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)27-CH3
V-3
4052. 1603-03-8 1 1 1 Hexadecanoic acid, 15-methyl- (H3C)2=CH-(CH2)13-COOH IV.A-3
4053. 121877-39-2 1 1 1 Hexadecanoic acid, 15-methyl-, docosyl ester (H3C)2=CH-(CH2)13-COO-(CH2)21-CH3 V-3
4054. 6929-04-0 0 1 0 Hexadecanoic acid, 15-methyl-, methyl ester (H3C)2=CH-(CH2)13-COO-CH3 V-3
4055. 506-13-8 0 1 0 Hexadecanoic acid, 16-hydroxy- HOCH2-(CH2)14-COOH IV.A-3
4056. 27147-71-3 0 1 0 Hexadecanoic acid, 2-methyl- H3C-(CH2)13-CH(CH3)-COOH IV.A-3
4057. 42172-35-0 0 1 0 Hexadecanoic acid, 3-methyl- H3C-(CH2)12-CH(CH3)-CH2-COOH IV.A-3
152
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4058. 71607-94-8 1 1 1 Hexadecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatria contanonaenyl ester
V-3
4059. 1118-77-0 0 1 0 Hexadecanoic acid, 3,7,11,15-tetramethyl-, methyl ester
V-3
4060. 53950-58-6 1 1 1 Hexadecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-
V-3
4061. 124-29-8 1 1 1 1-Hexadecanol H3C-(CH2)14-CH2OH II.A-5
4062. 2490-43-9 0 1 0 1-Hexadecanol, 14-methyl- II.A-5
4063. 645-72-7 1 1 1 1-Hexadecanol, 3,7,11,15-tetramethyl- {dihydrophytol}
II.A-5
CH2OH
H3C CH3
CH3
CH3
H3C
H[CH2-CH(CH3)-CH2-CH2]4-OH
4064. 60054-55-9 0 1 0 1-Hexadecanol, 7,11,15-trimethyl-3-methylene- II.A-5
4065. 18787-63-8 1 1 1 2-Hexadecanone H3C-(CH2)13-CO-CH3 III-13
4066. 34083-18-6 1 0 0 2,6,10,14-Hexadecatetraene, 2,6,10,14-tetramethyl- H-[CH2-C(CH3)=CH-CH2]4-H I.B-1
4067. 70901-63-2 0 1 0 1,6,10,14-Hexadecatetraene, 7,11,15-trimethyl-3-methylene-, (E,E)-
I.B-1
4068. 76540-54-0 0 1 0 1,6,10,14-Hexadecatetraene-3,9-diol, 3,7,11,15-tetramethyl-
II.A-5
4069. 76540-55-1 0 1 0 2,6,10,15-Hexadecatetraene-1,14-diol, 2,6,10,14-tetramethyl-, [S-(Z,E,E)]-
II.A-5
4070. 25377-56-4 0 1 0 Hexadecatrienoic acid IV.A-3
4071. 32839-24-0 0 1 0 Hexadecatrienoic acid, (Z,Z,Z)- IV.A-3
4072. 37822-81-4 0 1 0 Hexadecatrienoic acid, methyl ester V-3
4073. 26952-14-7 0 1 0 Hexadecene I.B-1
4074. 629-73-2 1 0 0 1-Hexadecene {1-cetene} H2C=CH-(CH2)13-CH3 I.B-1
4075. 1 0 0 1-Hexadecene, 2-methyl- H2C=C(CH3)-(CH2)13-CH3 I.B-1
4076. 71278-20-1 1 0 0 1-Hexadecene, 2,6,10-trimethyl- I.B-1
4077. 504-96-1 1 1 1 1-Hexadecene, 3-methylene-7,11,15-trimethyl-
{neophytadiene}
H2C=CH-C(=CH2)-CH2-{(CH2)2-CH(CH3)CH2}3-H I.B-1
4078. 0 1 0 1-Hexadecene, 3,7,11,15-tetramethyl- I.B-1
4079. 1 0 0 2-Hexadecene, (Z)- H3C-CH=CH-(CH2)12-CH3 I.B-1
4080. 1 0 0 2-Hexadecene, (E)- I.B-1
4081. 1 0 0 2-Hexadecene, 2-methyl- H3C-C(CH3)=CH-(CH2)12-CH3 I.B-1
4082. 1 0 0 2-Hexadecene, 14-methyl-, (Z)- H3C-CH=CH-(CH2)10-CH(CH3)-CH2-CH3
I.B-1
4083. 1 0 0 2-Hexadecene, 14-methyl-, (E)- I.B-1
4084. 1 0 0 2-Hexadecene, 15-methyl-, (Z)- H3C-CH=CH-(CH2)11-CH(CH3)2 I.B-1
4085. 1 0 0 2-Hexadecene, 15-methyl-, (E)- I.B-1
4086. 51806-25-8 0 1 0 4-Hexadecene, 3-methylene-7,11,15-trimethyl- H3C-CH2-C(=CH2)-CH=CH-CH2-CH(CH3)-CH2-{(CH2)2-CH(CH3)-CH2}2-H I.B-1
4087. 25447-95-4 1 1 1 Hexadecenoic acid IV.A-3
4088. 28039-99-8 0 1 0 Hexadecenoic acid, (Z)- IV.A-3
4089. 1686-10-8 0 1 0 3-Hexadecenoic acid, (E)- IV.A-3
153
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4090. 373-49-9 1 1 1 9-Hexadecenoic acid, (Z)- {palmitoleic acid} H3C-(CH2)7-CH=CH-(CH2)5-COOH IV.A-3
4091. 10030-73-6
2091-29-4
1 1 1 9-Hexadecenoic acid, (E)- {palmitelaidic acid} H3C-(CH2)7-CH=CH-(CH2)5-COOH IV.A-3
4092. 1120-25-8 0 1 0 9-Hexadecenoic acid, methyl ester, (Z)- H3C-(CH2)7-CH=CH-(CH2)5-COO-CH3 V-3
4093. 505-32-8 1 1 1 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl- {isophytol}
II.A-5
4094. 22104-83-2 0 1 0 2-Hexadecen-1-ol H3C-(CH2)12-CH=CH-CH2OH II.A-5
4095. 102608-53-7 0 1 0 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl- II.A-5
4096. 150-86-7 1 1 1 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]- {phytol}
CH2OH
H3C CH3
CH3
CH3
H3C
II.A-5
4097. 60026-26-8 0 1 0 7-Hexadecen-6-one, 3,7,11,15-tetramethyl- III-13
4098. 80466-34-8 0 1 0 2,4-Hexadienal H3C-(CH=CH)2-CH=O III-12
4099. 142-83-6 1 1 1 2,4-Hexadienal, (E,E)- III-12
4100. 54612-24-7 1 0 0 Hexadiene, dimethyl- I.B-1
4101. 1 0 0 Hexadiene, methyl- I.B-1
4102. 1 0 0 1,3-Hexadiene, 3-ethyl-2,5-dimethyl- I.B-1
4103. 927-97-9 1 0 0 1,4-Hexadiene, 2,5-dimethyl- I.B-1
4104. 764-13-6 1 0 0 2,4-Hexadiene, 2,5-dimethyl- I.B-1
4105. 1 0 0 2,4-Hexadiene, 3,4-dimethyl- I.B-1
4106. 110-44-1 1 1 1 2,4-Hexadienoic acid, (E,E)- {sorbic acid} H3C-(CH=CH)2-COOH IV.A-3
4107. 590-00-1
24624-61-5
0 1 0 2,4-Hexadienoic acid, potassium salt H3C-(CH=CH)2-COOK XX-2
4108. 90-65-3 1 0 0 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo- III-13, IV.A-3, X-2
4109. 10420-90-3 1 0 0 1,3-Hexadien-5-yne HC≡C-CH=CH-CH=CH2 I.B-1
4110. 821-08-9 1 0 0 1,5-Hexadien-3-yne {divinylacetylene} H2C=CH-C≡C-CH=CH2 I.B-1
4111. 66-25-1 1 1 1 Hexanal {caproic aldehyde} H3C-(CH2)4-CH=O III-12
4112. 15303-46-5 0 1 0 Hexanal, 2-(1-methylethyl)-5-oxo- III-12, III-13
4113. 2363-84-0 1 0 0 Hexanal, 2-oxo- H3C-(CH2)3-CO-CH=O III-12, III-13
4114. 0 1 0 Hexanal, 4-oxo- H3C-CH2-CO-(CH2)2-CH=O III-12, III-13
4115. 628-02-4 1 0 0 Hexanamide H3C-(CH2)4-CO-NH2 XIII-1
4116. 111-26-2 1 1 1 1-Hexanamine H3C-(CH2)5-NH2 XII-2
4117. 28056-87-3 1 0 0 1-Hexanamine, 2-ethyl-N,N-dimethyl- XII-2
4118. 110-54-3 1 1 1 Hexane H3C-(CH2)4-CH3 I.A-10
4119. 33240-56-1 1 0 0 Hexane, 1-chloro-5-methyl- XVIII.B-3
4120. 28777-67-5 1 0 0 Hexane, dimethyl- I.A-10
4121. 1 0 0 Hexane, 2,4-dimethyl- I.A-10
4122. 592-13-2 1 0 0 Hexane, 2,5-dimethyl- I.A-10
4123. 50-70-4 1 1 1 Hexane, hexahydroxy- {sorbitol; glucitol} HOCH2-(CHOH)4-CH2OH II.A-5
154
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4124. 585-88-6 0 1 0 Hexane, hexahydroxy-, 4-O-β-D-glucopyranosyl-
{maltitol; 4-O-β-D-glucopyranosyl-D-glucitol} HO
OH
OH
HO O O
HO
OH OH OH
OH
II.A-5, X-2
4125. 0 1 0 Hexane, hexahydroxy-, 2,6-di-O-methyl- II.A-5, X-2
4126. 0 1 0 Hexane, hexahydroxy-, 2,3,6-tri-O-methyl- II.A-5, X-2
4127. 0 1 0 Hexane, hexahydroxy-, 2,3,4,6-tetra-O-methyl- II.A-5, X-2
4128. 589-34-4 1 0 0 Hexane, 3-methyl- I.A-10
4129. 1071-81-4 1 0 0 Hexane, 2,2,5,5-tetramethyl- (H3C)3≡C-(CH2)2-C≡(CH3)3 I.A-10
4130. 124-04-9 1 0 0 Hexanedioic acid {adipic acid} HOOC-(CH2)4-COOH IV.A-3
4131. 542-32-5 0 1 0 Hexanedioic acid, 2-amino- IV.A-3, XII-2
4132. 123-79-5 1 0 0 Hexanedioic acid, dioctyl ester V-3
4133. 103-23-1 1 0 0 Hexanedioic acid, bis(2-ethylhexyl) ester V-3
4134. 3184-35-8 1 1 1 Hexanedioic acid, 2-oxo- III-13, IV.A-3
4135. 77289-00-0 0 1 0 1,5-Hexanediol, 2-(1-methylethyl)-, [S-(R*,R*)]- II.A-5
4136. 2935-44-6 1 1 1 2,5-Hexanediol H3C-CHOH (CH2)2-CHOH-CH3 II.A-5
4137. 29044-06-2 0 1 0 2,5-Hexanediol, 2-methyl- II.A-5
4138. 3848-24-6 1 0 0 2,3-Hexanedione H3C-CO-CO-(CH2)3-CH3 III-13
4139. 110-13-4 1 1 1 2,5-Hexanedione {acetonylacetone} III-13
4140. 1 0 0 2,5-Hexanedione, 3-hydroxy- III-13
4141. 4437-50-7 1 0 0 2,5-Hexanedione, 3-methyl- III-13
4142. 1 0 0 3,4-Hexanedione H3C-CH2-CO-CO-CH2-CH3 III-13
4143. 1 0 0 3,4-Hexanedione, 2-methyl- III-13
4144. 628-73-9 1 0 0 Hexanenitrile {capronitrile} H3C-(CH2)4-CN XI-1
4145. 64350-07-8 1 0 0 Hexanenitrile, 2-hydroxy- II.A-5, XI-1
4146. 111-31-9 1 0 0 1-Hexanethiol H3C-(CH2)5-SH XVIII.A-1
4147. 18990-98-2 1 0 0 1,3,6-Hexanetriol II.A-5
4148. 142-62-1 1 1 1 Hexanoic acid {caproic acid} H3C-(CH2)4-COOH IV.A-3, XXI-3
4149. 60308-81-8 0 1 0 Hexanoic acid, 4,5-dimethyl- IV.A-3
4150. 123-66-0 1 1 1 Hexanoic acid, ethyl ester {ethyl caproate} H3C-(CH2)4-COO-C2H5 V-3
4151. 1 1 1 Hexanoic acid, 2,6-di-(methylnitrosamino)- R-(CH2)4-CH(R)-COOH where
R = H3C-N(NO)- IV.A-3, XV-8
4152. 149-57-5 1 1 1 Hexanoic acid, 2-ethyl- IV.A-3
4153. 1 0 0 Hexanoic acid, hydroxy- II.A-5, IV.A-3
4154. 6064-63-7 0 1 0 Hexanoic acid, 2-hydroxy- II.A-5, IV.A-3
4155. 1191-25-9 1 0 0 Hexanoic acid, 6-hydroxy- II.A-5, IV.A-3
4156. 40309-49-7 0 1 0 Hexanoic acid, 3-hydroxy-5-methyl- II.A-5, IV.A-3
4157. 0 1 0 Hexanoic acid, cis-3-hexenyl ester V-3
4158. 106-70-7 0 1 0 Hexanoic acid, methyl ester H3C-(CH2)4-COO-CH3 V-3
4159. 4536-23-6 1 1 1 Hexanoic acid, 2-methyl- {2-methylhexanoic acid} IV.A-3
4160. 3780-58-3 0 1 0 Hexanoic acid, 3-methyl- IV.A-3
155
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4161. 1561-11-1 0 1 0 Hexanoic acid, 4-methyl- IV.A-3
4162. 628-46-6 0 1 0 Hexanoic acid, 5-methyl- IV.A-3
4163. 30414-55-2 0 1 0 Hexanoic acid, 5-methyl-3-oxo-, methyl ester III-13, V-3
4164. 41654-04-0 0 1 0 Hexanoic acid, 5-methyl-4-oxo- III-13, IV.A-3
4165. 2543-54-6 0 1 0 Hexanoic acid, 2-(1-methylethyl)-5-oxo- III-13, IV.A-3
4166. 16825-90-4 1 0 0 Hexanoic acid, 2-(1-methylethyl)-5-oxo-, (S)- III-13, IV.A-3
4167. 1842-56-4 0 1 0 Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester
III-13, V-3
4168. 1117-74-4 1 1 1 Hexanoic acid, 4-oxo- III-13, IV.A-3
4169. 3128-06-1 1 0 0 Hexanoic acid, 5-oxo- III-13, IV.A-3
4170. 540-07-8 0 1 0 Hexanoic acid, pentyl ester H3C-(CH2)4-COO-(CH2)4-C H3 V-3
4171. 6290-37-5 0 1 0 Hexanoic acid, 2-phenylethyl ester V-3
4172. 6938-45-0 0 1 0 Hexanoic acid, phenylmethyl ester V-3
4173. 2051-49-2 0 1 0 Hexanoic anhydride VII-1
4174. 25917-35-5 1 1 1 Hexanol II.A-5
4175. 111-27-3 1 1 1 1-Hexanol {caproyl alcohol} H3C-(CH2)4-CH2OH II.A-5, XXI-3
4176. 104-76-7 1 1 1 1-Hexanol, 2-ethyl- H3C-(CH2)3-CH(C2H5)-CH2OH II.A-5
4177. 61949-26-6 1 0 0 1-Hexanol, methyl- II.A-5
4178. 818-49-5 0 1 0 1-Hexanol, 4-methyl- II.A-5
4179. 627-98-5 0 1 0 1-Hexanol, 5-methyl- (H3C)2=CH-(CH2)3-CH2OH II.A-5
4180. 626-93-7 1 1 1 2-Hexanol H3C-(CH2)3-CHOH-CH3 II.A-5
4181. 0 1 0 2-Hexanol, 2-cyclohexanyl- II.A-5
4182. 623-37-0 1 1 1 3-Hexanol II.A-5
4183. 2180-43-0 1 0 0 3-Hexanol, 1-phenyl- II.A-5
4184. 1 0 0 4-Hexanol, 1-phenyl- II.A-5
4185. 14360-50-0 1 0 0 1-Hexanone, 1-(2-furanyl)- III-13, X-2
4186. 591-78-6 1 1 1 2-Hexanone {butyl methyl ketone} H3C-(CH2)3-CO-CH3 III-13
4187. 72693-13-1 1 0 0 2-Hexanone, 5,6-dihydroxy- II.A-5, III-13
4188. 56745-61-0 1 0 0 2-Hexanone, 5-hydroxy- II.A-5, III-13
4189. 68208-73-1 1 0 0 2-Hexanone, 6-hydroxy-5-methyl- II.A-5, III-13
4190. 589-38-8 1 1 1 3-Hexanone {ethyl propyl ketone} III-13
4191. 71278-21-2 1 1 1 1,3,6,10,14,18,22,26,30,34-Hexatriacontadecaene, 3,7,11,15,19,23,27,31,35-nonamethyl-
{solanesene}
I.B-1
4192. 630-06-8 1 1 1 Hexatriacontane H3C-(CH2)34-CH3 I.A-10
4193. 71278-22-3 1 0 0 1,6,10,14,18,22,26,30,34-Hexatriacontanonaene, 7,11,15,19,23,27,31,35-octamethyl-3-methylene-
I.B-1
4194. 66327-99-9 1 0 0 2,6,10,14,18,22,26,30,34-Hexatriacontanonaene, 2,6,10,14,18,22,26,30,34-nonamethyl-, (all-E)-
I.B-1
4195. 60924-87-0 0 1 0 2,6,10,14,18,22,26,30,35-Hexatriacontanonaene-1,34-diol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)-
II.A-5
156
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4196. 60924-86-9 0 1 0 2,6,10,14,18,22,26,30,33-Hexatriacontanonaene-1,35-diol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)-
II.A-5
4197. 101330-76-1 0 1 0 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, labeled with
14C, (Z,Z,Z)-
II.A-5
4198. 13190-97-1 1 1 1 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)-
{solanesol}
H-[CH2-CH(CH3)-CH2-CH2]9-OH II.A-5
4199. 29144-38-5 1 1 1 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, acetate, stereoisomer {solanesyl acetate}
V-3
4200. 2235-12-3 1 0 0 1,3,5-Hexatriene H2C=CH-CH=CH-CH=CH2 I.B-1
4201. 1 0 0 1,3,5-Hexatriene, 2-methyl- I.B-1
4202. 1 0 0 1,3,5-Hexatriene, 3-methyl- I.B-1
4203. 1335-39-3 0 1 0 Hexenal III-12
4204. 505-57-7 1 1 1 2-Hexenal H3C-(CH2)2-CH=CH-CH=O III-12
4205. 6728-26-3 1 1 1 2-Hexenal, (E)- III-12
4206. 16635-54-4 1 1 1 2-Hexenal, (Z)- III-12
4207. 1 0 0 2-Hexenal, 2,5-dimethyl- III-12
4208. 28467-88-1 1 0 0 2-Hexenal, 2-methyl- H3C-(CH2)2-CH=C(CH3)-CH=O III-12
4209. 1 0 0 2-Hexenal, 5-methyl- III-12
4210. 21834-92-4 0 1 0 2-Hexenal, 5-methyl-2-phenyl- III-12
4211. 25264-93-1 1 0 0 Hexene H-(CH2)n-CH=CH-(CH2)(4-n)-H I.B-1
4212. 1 0 0 Hexene, diamino XII-2
4213. 592-41-6 1 0 0 1-Hexene H3C-(CH2)3-CH=CH2 I.B-1
4214. 3524-73-0 1 0 0 1-Hexene, 5-methyl- (H3C)2=CH-(CH2)2-CH=CH2 I.B-1
4215. 4050-45-7 1 0 0 2-Hexene, (E)- H3C-(CH2)2-CH=CH-CH3 I.B-1
4216. 7688-21-3 1 0 0 2-Hexene, (Z)- I.B-1
4217. 3404-78-2 1 0 0 2-Hexene, 2,5-dimethyl- H3C-CH(CH3)-CH2-CH=C(CH3)-CH3 I.B-1
4218. 2738-19-4 1 0 0 2-Hexene, 2-methyl- H3C-(CH2)2-CH=C(CH3)-CH3 I.B-1
4219. 3404-62-4 1 0 0 2-Hexene, 5-methyl- H3C-CH(CH3)-CH2-CH=CH-CH3 I.B-1
4220. 592-47-2 1 0 0 3-Hexene H3C-CH2-CH=CH-CH2-CH3 I.B-1
4221. 13269-52-8 1 1 1 3-Hexene, (E)- I.B-1
4222. 7642-09-3 1 0 0 3-Hexene, (Z)- I.B-1
4223. 4436-75-3 0 1 0 3-Hexene, 2,5-dione III-13
4224. 1289-40-3 1 0 0 Hexenoic acid IV.A-3
4225. 1191-04-4 0 1 0 2-Hexenoic acid H3C-(CH2)2-CH=CH-COOH IV.A-3
4226. 5309-52-4 0 1 0 2-Hexenoic acid, 2-ethyl- IV.A-3
4227. 41653-96-7 0 1 0 2-Hexenoic acid, 5-methyl- (H3C)2=CH-CH2-CH=CH-COOH IV.A-3
4228. 51424-01-2 0 1 0 2-Hexenoic acid, 5-methyl-, (E)- IV.A-3
4229. 4219-24-3 1 1 1 3-Hexenoic acid {hydrosorbic acid} H3C-CH2-CH=CH-CH2-COOH IV.A-3
4230. 1775-43-5 0 1 0 3-Hexenoic acid, (Z)- IV.A-3
4231. 2396-78-3 0 1 0 3-Hexenoic acid, methyl ester H3C-CH2-CH=CH-CH2-COO-CH3 V-3
157
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4232. 35194-36-6 1 1 1 4-Hexenoic acid H3C-CH=CH-(CH2)2-COOH IV.A-3
4233. 1577-20-4 1 1 1 4-Hexenoic acid, (E)- IV.A-3
4234. 5636-65-7 0 1 0 4-Hexenoic acid, 5-methyl- IV.A-3
4235. 1577-22-6 0 1 0 5-Hexenoic acid IV.A-3
4236. 928-95-0 0 1 0 2-Hexen-1-ol H3C-(CH2)2-CH=CH-CH2OH II.A-5
4237. 2305-21-7 0 1 0 2-Hexen-1-ol, (E)- II.A-5
4238. 2497-18-9 0 1 0 2-Hexen-1-ol, acetate, (E)- V-3
4239. 544-12-7 0 1 0 3-Hexen-1-ol II.A-5
4240. 928-97-2 0 1 0 3-Hexen-1-ol, (E)- II.A-5
4241. 928-96-1 1 1 1 3-Hexen-1-ol, (Z)- {leaf alcohol} II.A-5
4242. 1 1 1 3-Hexen-1-ol, (Z)- , labeled with 14
C {leaf alcohol-
14C}
XXV-29
4243. 1708-82-3 0 1 0 3-Hexen-1-ol, acetate V-3
4244. 3681-71-8 0 1 0 3-Hexen-1-ol, acetate, (Z)- V-3
4245. 25152-85-6 0 1 0 3-Hexen-1-ol, benzoate, (Z)- V-3
4246. 2315-09-5 0 1 0 3-Hexen-1-ol, formate V-3
4247. 33467-73-1 0 1 0 3-Hexen-1-ol, formate, (Z)- V-3
4248. 763-93-9 1 0 0 3-Hexen-2-one III-13
4249. 5166-53-0 1 1 1 3-Hexen-2-one, 5-methyl- III-13
4250. 1821-29-0 0 1 0 3-Hexen-2-one, 5-methyl-, (E)- III-13
4251. 109-49-9 1 1 1 5-Hexen-2-one H2C=CH-(CH2)2-CO-CH3 III-13
4252. 55615-04-8 0 1 0 5-Hexen-2-one, 4,5-dimethyl- III-13
4253. 0 1 0 4-Hexen-3-one, 4,5-dimethyl- III-13
4254. 121197-12-4 1 0 0 5-Hexen-3-one, 4,5-dihydroxy- II.A-5, III-13
4255. 33124-69-5 0 1 0 threo-2,3-Hexodiulosonic acid, γ-lactone VI-3
4256. 490-83-5 0 1 0 L-threo-2,3-Hexodiulosonic acid, γ-lactone VI-3
4257. 61989-59-1 1 0 0 Hexonic acid, 2,3-dideoxy-, γ-lactone, monoacetate V-3, VI-3
4258. 61892-51-1 1 0 0 Hexonic acid, 3,6-dideoxy-, γ-lactone VI-3
4259. 61653-41-6 0 1 0 D-lyxo-Hexonic acid, 2-deoxy-, γ-lactone VI-3
4260. 45009-62-9 0 1 0 Hexoses II.A-5, VIII-3
4261. 62446-36-0 0 1 0 Hexouronic acid
4262. 26856-30-4 1 0 0 Hexyne H-(CH2)n-C≡C-(CH2)(4-n)-H I.B-1
4263. 693-02-7 1 0 0 1-Hexyne HC≡C-(CH2)3-CH3 I.B-1
4264. 2203-80-7 1 0 0 1-Hexyne, 5-methyl- HC≡C-(CH2)2-CH(CH3)2 I.B-1
4265. 764-35-2 1 0 0 2-Hexyne H3C-C≡C-(CH2)2-CH3 I.B-1
4266. 53566-37-3 1 0 0 2-Hexyne, 5-methyl- H3C-C≡C-CH2-CH(CH3)2 I.B-1
4267. 928-49-4 1 0 0 3-Hexyne H3C-CH2-C≡C-CH2-CH3 I.B-1
4268. 7006-35-1 0 1 0 Histidine IV.A-3, IV.B-7, XII-2, XVII.A-4
4269. 71-00-1 0 1 0 L-Histidine IV.A-3, IV.B-7, XII-2, XVII.A-4
HN
N
NH2
COOH
158
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4270. 332-80-9 1 1 1 L-Histidine, 1-methyl- IV.A-3, IV.B-7, XII-2, XVII.A-4
4271. 1 1 1 L-Histidine, 3-methyl- IV.A-3, IV.B-7, XII-2, XVII.A-4
4272. 62504-27-2 0 1 0 L-Histidine, N-(1-carboxyethyl)-, (R)- IV.A-3, IV.B-7, XII-2, XVII.A-4
4273. 7440-60-0 1 1 1 Holmium Ho XX-5
4274. 8064-26-4 0 1 0 Holocellulose VIII-3
4275. 454-29-5 0 1 0 DL-Homocysteine HS-(CH2)2-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2, XVIII.A-1
4276. 498-19-1
672-15-1
1 1 1 Homoserine {2-amino-4-hydroxybutanoic acid} HO-(CH2)2-CH(NH2)-COOH
II.A-5, IV.A-3, IV.B-7, XII-2, XVIII.A-1
4277. 1415-93-6 0 1 0 Humic acids IV.A-3
4278. 9024-25-3 0 1 0 Hydratase, aconitate XXII-2
4279. 9032-88-6 0 1 0 Hydratase, fumarate XXII-2
4280. 9014-08-8 0 1 0 Hydratase, phosphopyruvate XXII-2
4281. 302-01-2 1 1 1 Hydrazine H2N-NH2 XII-2
4282. 57-14-7 1 1 1 Hydrazine, 1,1-dimethyl- H2N-N(CH3)2 XII-2
4283. 624-80-6 1 0 0 Hydrazine, ethyl- H2N-NH-CH2-CH3 XII-2
4284. 60-34-4 1 0 0 Hydrazine, methyl- H2N-NH-CH3 XII-2
4285. 74-90-8 1 1 1 Hydrocyanic acid {hydrogen cyanide} HCN XI-2, XXI-3
4286. 1333-74-0 1 0 0 Hydrogen H2 XIX-5
4287. 7722-84-1 1 0 0 Hydrogen peroxide H2O2 XXVII
4288. 1 0 0 Hydrogen peroxyl radical OOH XXVII-1
4289. 7783-06-4 1 0 0 Hydrogen sulfide H2S XVIII.A-1
4290. 9027-05-8 0 1 0 Hydrogenase XXII-2
4291. 9027-41-2 0 1 0 Hydrolase XXII-2
4292. 0 1 0 Hydropectin VIII-3
4293. 1 0 0 Hydroquinone/semiquinone/quinone free radical XXVII-1
4294. 3352-57-6 1 0 0 Hydroxide free radical XXVII-1
4295. 120598-69-8 0 1 0 Hydroxycinnamoyltransferase, putrescine XXII-2
4296. 0 1 0 Hydroxycinnamoyltransferase, quinate XXII-2
4297. 73904-44-6 0 1 0 Hydroxycinnamoyltransferase, shikimate XXII-2
4298. 128909-19-3 0 1 0 Hydroxycinnamoyltransferase, tyramine XXII-2
4299. 60321-02-0 0 1 0 Hydroxycinnamyl-CoA:quinate hydroxycinnamyl transferase, quinate
XXII-2
4300. 7803-49-8 0 1 0 Hydroxylamine HO-NH2 XII-2
4301. 0 1 0 Hydroxylase, cinnamete XXII-2
4302. 0 1 0 Hydroxylase, glycine XXII-2
4303. 9029-83-8 0 1 0 Hydroxymethyltransferase, serine XXII-2
4304. 105827-78-9 0 1 0 1H-Imidazol-2-amine, ((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitro- {Admire®}
N
NH-NO2
NN
Cl
XVII.B-4, XXI-3
159
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4305. 288-32-4 1 1 1 1H-Imidazole {1,3-diazole} NH
N
12
34
5
XVII.A-4
4306. 2466-76-4 0 1 0 1H-Imidazole, 1-acetyl- XVII.A-4
4307. 1 0 0 1H-Imidazole, C3-alkyl- {3 isomers detected} XVII.A-4
4308. 1 0 0 1H-Imidazole, C4-alkyl- {5 isomers detected} XVII.A-4
4309. 1 0 0 1H-Imidazole, C5-alkyl- {4 isomers detected} XVII.A-4
4310. 1 0 0 1H-Imidazole, butyl- XVII.A-4
4311. 1 0 0 1H-Imidazole, 2-butyl- XVII.A-4
4312. 0 1 0 1H-Imidazole, 4,5-dihydro-2-ethyl-4-methyl- XVII.A-4
4313. 1739-84-0 1 0 0 1H-Imidazole, 1,2-dimethyl- XVII.A-4
4314. 6338-45-0 1 0 0 1H-Imidazole, 1,4-dimethyl- XVII.A-4
4315. 10447-93-5 1 0 0 1H-Imidazole, 1,5-dimethyl- XVII.A-4
4316. 930-62-1 1 0 0 1H-Imidazole, 2,4-dimethyl- XVII.A-4
4317. 2302-39-8 1 0 0 1H-Imidazole, 4,5-dimethyl- XVII.A-4
4318. 37455-73-5 1 0 0 1H-Imidazole, 1,4-dimethyl-2-(1-methylethyl)- XVII.A-4
4319. 40688-28-6 1 0 0 1H-Imidazole, 2,4-dimethyl-5-(1-methylethyl)- XVII.A-4
4320. 1 0 0 1H-Imidazole, 2,5-dimethyl-4-(1-methylethyl)- XVII.A-4
4321. 1131-16-4 1 0 0 1H-Imidazole, 1,4-dimethyl-5-phenyl- XVII.A-4
4322. 51-45-6 0 1 0 1H-Imidazole-4-ethanamine NH
N
12
3
5
CH2CH2-NH2
XII-2,
XVII.A-4
4323. 1 0 0 1H-Imidazole, ethyl- XVII.A-4
4324. 7098-07-9 1 0 0 1H-Imidazole, 1-ethyl- XVII.A-4
4325. 1072-62-4 1 0 0 1H-Imidazole, 2-ethyl- XVII.A-4
4326. 19141-85-6 1 0 0 1H-Imidazole, 4-ethyl- XVII.A-4
4327. 21202-52-8 1 0 0 1H-Imidazole, 1-ethyl-2-methyl- XVII.A-4
4328. 931-36-2 1 0 0 1H-Imidazole, 2-ethyl-4-methyl- XVII.A-4
4329. 29239-89-2 1 0 0 1H-Imidazole, 4-ethyl-2-methyl- XVII.A-4
4330. 37455-59-7 1 0 0 1H-Imidazole, 4-ethyl-2-(1-methylethyl)- XVII.A-4
4331. 37455-56-4 1 0 0 1H-Imidazole, 4-ethyl-2-propyl- XVII.A-4
4332. 1 0 0 1H-Imidazole, methyl- XVII.A-4
4333. 616-47-7 1 0 0 1H-Imidazole, 1-methyl- XVII.A-4
4334. 693-98-1 1 0 0 1H-Imidazole, 2-methyl- XVII.A-4
4335. 822-36-6 1 0 0 1H-Imidazole, 4-methyl- XVII.A-4
4336. 36947-68-9 1 0 0 1H-Imidazole, 2-(1-methylethyl)- XVII.A-4
4337. 58650-48-9 1 0 0 1H-Imidazole, 4-(1-methylethyl)- XVII.A-4
4338. 22509-02-0 1 0 0 1H-Imidazole, 1-methyl-2-(1-methylethyl)- XVII.A-4
4339. 37455-52-0 1 0 0 1H-Imidazole, 2-methyl-4-(1-methylethyl)- XVII.A-4
4340. 37455-58-6 1 0 0 1H-Imidazole, 4-methyl-2-(1-methylethyl)- XVII.A-4
4341. 61893-07-0 1 0 0 1H-Imidazole, 4-methyl-2-(1-methylpropyl)- XVII.A-4
160
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4342. 61893-06-9 1 0 0 1H-Imidazole, 2-(1-methylpropyl)- XVII.A-4
4343. 61893-08-1 1 0 0 1H-Imidazole, 4-(2-methylpropyl)- XVII.A-4
4344. 1 0 0 1H-Imidazole, pentyl- XVII.A-4
4345. 91491-09-7 1 0 0 1H-Imidazole, propyl- XVII.A-4
4346. 1842-63-3 1 0 0 1H-Imidazole, 1,2,4-trimethyl- XVII.A-4
4347. 822-90-2 1 0 0 1H-Imidazole, 2,4,5-trimethyl- XVII.A-4
4348. 20185-22-2 1 0 0 1H-Imidazole, 1,4,5-trimethyl- XVII.A-4
4349. 36734-19-7 0 1 0 1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-2,4-dioxo- {Iprodione®}
XIII-1, XIV-1, XVII.A-4, XVIII.B-3, XXI-3 ClO
O Cl
NN
O
N
4350. 461-72-3 1 0 0 2,4-Imidazolidinedione {hydantoin} NH
NH
O
O
XIV-1, XVII.A-4
4351. 61893-10-5 1 0 0 2,4-Imidazolidinedione, 1-(1-methylethyl)- XIV-1, XVII.A-4
4352. 17374-27-5 1 0 0 2,4-Imidazolidinedione, 1,5-dimethyl- XIV-1, XVII.A-4
4353. 61893-09-2 1 0 0 2,4-Imidazolidinedione, 1-ethyl- XIV-1, XVII.A-4
4354. 16935-34-5 1 0 0 2,4-Imidazolidinedione, 5-(1-methylethyl)- XIV-1, XVII.A-4
4355. 15414-82-1 1 0 0 2,4-Imidazolidinedione, 5-ethyl- XIV-1, XVII.A-4
4356. 616-03-5 1 1 1 2,4-Imidazolidinedione, 5-methyl- XIV-1, XVII.A-4
4357. 96-45-7 1 0 0 2-Imidazolidinethione {ethylenethiourea} XVII.A-4
4358. 138261-41-3 1 1 1 Imidazolidinimine, 1-((6-chloro-3-pyridinyl)methyl)-N-nitro- {Imidacloprid®}
XVII.A-4,
XVIII.B-3,
XXI-3
4359. 61892-75-9 1 0 0 4H-Imidazol-4-one, 1,5-dihydro-1-methyl- XVII.A-4
4360. 60-27-5 0 1 0 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-
{creatinine}
N N
O
CH3
NH2
31
2
4
5
XII-2, XVII.A-4
4361. 274-76-0 1 0 0 Imidazo[1,2-a]pyridine
NN1
23
XVII.E-6
4362. 1 0 0 Imidazo[1,2-a]pyridine, C2-alkyl- XVII.E-6
4363. 875-80-9 1 0 0 Imidazo[1,2-a]pyridine, 2,3-dimethyl- XVII.E-6
4364. 105650-23-5 1 0 0 1H-Imidazo[4,5-b]pyridin-2-amine, 1-methyl-6-phenyl- {PhIP}
NN
N
NH2
CH3
12
345
6
XVII.F-8
4365. 1 0 0 1H-Imidazo[4,5-b]pyridine, methyl- XVII.E-6
161
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4366. 68175-07-5 1 0 0 1H-Imidazo[4,5-b]pyridine, 2-methyl- N
NH
N
12
3
45
67
XVII.E-6
4367. 27582-20-3 1 0 0 1H-Imidazo[4,5-b]pyridine, 7-methyl- XVII.E-6
4368. 120293-52-9 0 1 0 1H-Imidazo[4,5-c]pyridine-4-propanoic acid, 4,6-dicarboxy-4,5,6,7-tetrahydro-, (4R-cis)-
IV.A-3
4369. 77094-11-2 1 0 0 3H-Imidazo[4,5-f]quinolin-2-amine, 3,4-dimethyl- {MeIQ}
NH2
CH3
N
N
N1 2
3
CH3
XVII.F-8
4370. 76180-96-6 1 0 0 3H-Imidazo[4,5-f]quinolin-2-amine, 3-methyl- {IQ}
NH2
CH3
N
N
N1 2
3
4
XVII.F-8
4371. 271-44-3 1 0 0 1H-Indazole NH
N
12
3
XVII.E-6
4372. 34879-87-3 0 1 0 1H-Indazole, 1,6-dimethyl- XVII.E-6
4373. 95-13-6 1 0 0 1H-Indene 1
2
34
5
6
7
I.E-6
4374. 71278-05-2 1 0 0 1H-Indene, diethyl- I.E-6
4375. 496-11-7 1 0 0 1H-Indene, 2,3-dihydro- {indane} 1
2
34
5
6
7
I.E-6
4376. 53563-67-0 1 0 0 1H-Indene, 2,3-dihydrodimethyl- {4 isomers detected}
I.E-6
4377. 17057-82-8 1 0 0 1H-Indene, 2,3-dihydro-1,2-dimethyl- I.E-6
4378. 71278-02-9 1 0 0 1H-Indene, 2,3-dihydroethyl- I.E-6
4379. 27133-93-3 1 0 0 1H-Indene, 2,3-dihydromethyl- {4 isomers detected}
I.E-6
4380. 767-58-8 1 0 0 1H-Indene, 2,3-dihydro-1-methyl- I.E-6
4381. 824-63-5 1 0 0 1H-Indene, 2,3-dihydro-2-methyl- I.E-6
4382. 824-22-6 1 0 0 1H-Indene, 2,3-dihydro-4-methyl- I.E-6
4383. 874-35-1 1 0 0 1H-Indene, 2,3-dihydro-5-methyl- I.E-6
4384. 16204-57-2 0 1 0 1H-Indene, 2,3-dihydro 1,1,4,5-tetramethyl- I.E-6
4385. 942-43-8 0 1 0 1H-Indene, 2,3-dihydro 1,1,5,6-tetramethyl- I.E-6
4386. 36541-18-1 1 0 0 1H-Indene, 2,3-dihydrotrimethyl- I.E-6
4387. 29348-63-8 1 0 0 1H-Indene, dimethyl- I.E-6
162
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4388. 71278-06-3 1 0 0 1H-Indene, dimethylethyl- I.E-6
4389. 1 0 0 1H-Indene, 5,6-dimethyl-2-phenyl- I.E-6
4390. 1 0 0 1H-Indene, 2-(3’,4’-dimethylphenyl)- I.E-6
4391. 58924-35-9 1 0 0 1H-Indene, ethyl- I.E-6
4392. 1 0 0 1H-Indene, ethylmethyl- I.E-6
4393. 71278-07-4 1 0 0 1H-Indene, ethylpentamethyl- I.E-6
4394. 1 0 0 1H-Indene, heptamethyl- I.E-6
4395. 71278-08-5 1 0 0 1H-Indene, hexamethyl- I.E-6
4396. 29036-25-7 1 0 0 1H-Indene, methyl- {at least 3 isomers are present in MSS}
I.E-6
4397. 767-59-9 1 0 0 1H-Indene, 1-methyl- I.E-6
4398. 2177-47-1 1 0 0 1H-Indene, 2-methyl- I.E-6
4399. 767-60-2 1 0 0 1H-Indene, 3-methyl- I.E-6
4400. 2471-84-3 1 0 0 1H-Indene, 1-methylene- I.E-6
4401. 6596-86-7 1 0 0 2H-Indene, 2-methylene- {benzofulvene}
I.E-6
4402. 1 0 0 1H-Indene, 4-methyl-2-(2’-methylphenyl)- I.E-6
4403. 1 0 0 1H-Indene, 5-methyl-2-(4-methylphenyl)- I.E-6
4404. 1 0 0 1H-Indene, 6-methyl-2-(4-methylphenyl)- I.E-6
4405. 1 0 0 1H-Indene, 7-methyl-2-(2’-methylphenyl)- I.E-6
4406. 1 0 0 1H-Indene, 7-(4’-methylphenyl)- I.E-6
4407. 71278-09-6 1 0 0 1H-Indene, pentamethyl- I.E-6
4408. 38638-41-4 1 0 0 1H-Indene, phenyl- I.E-6
4409. 1 0 0 1H-Indene, 2-phenyl- I.E-6
4410. 1 0 0 1H-Indene, phenyltrimethyl- I.E-6
4411. 27135-78-0 1 0 0 1H-Indene, tetramethyl-
{at least 4 isomers present in MSS}
I.E-6
4412. 60826-61-1 1 0 0 1H-Indene, trimethyl-
{at least 3 isomers present in MSS}
I.E-6
4413. 37414-44-1 1 0 0 1H-Indene-2-carboxaldehyde, 2,3-dihydro- III-12
4414. 30084-91-4 1 0 0 1H-Indene-5-carboxaldehyde, 2,3-dihydro- III-12
4415. 606-23-5 1 0 0 1H-Indene-1,3(2H)-dione III-13
4416. 668-30-4 1 0 0 Indeno[1,2,3,4-defg]chrysene
{also known as indeno[3,2,1,7-defg]chrysene; dibenzo[b,mno]fluoranthene; naphtho[1,2,3,4-ghi]fluoranthene}
I.E-6
4417. 71277-94-6 1 0 0 Indeno[1,2,3,4-defg]chrysene, methyl- {indeno[3,2,1,7-defg]chrysene, methyl-; dibenzo[b,mno]fluoranthene, methyl-; naphtho[1,2,3,4-ghi]fluoranthene, methyl-}
I.E-6
163
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4418. 193-43-1 1 0 0 Indeno[1,2,3-cd]fluoranthene
I.E-6
4419. 41699-07-4 1 0 0 Indeno[1,2,3-cd]fluoranthene, methyl- I.E-6
4420. 206-56-4 1 0 0 Indeno[1,2,3-ij]isoquinoline
{1-azafluoranthene}
N
XVII.E-6
4421. 1 0 0 Indeno[1,2,3-ij]isoquinoline, dimethyl- XVII.E-6
4422. 1 0 0 Indeno[1,2,3-ij]isoquinoline, methyl- XVII.E-6
4423. 56631-57-3 1 0 0 1H-Indenol [1H-Inden-4-ol] OH
1
2
35
6
7
IX.A-22
4424. 72692-86-5 1 0 0 1H-Indenol, 2,3-dihydromethyl-
[1H-Inden-4-ol, 2,3-dihydromethyl-]
IX.A-22
4425. 73850-11-0 1 0 0 1H-Indenol, dimethyl-
[1H-Inden-4-ol, dimethyl-
IX.A-22
4426. 73850-20-1 1 0 0 1H-Indenol, ethylmethyl-
[1H-Inden-4-ol, ethylmethyl-]
IX.A-22
4427. 1 0 0 1H-Indenol, methyl-
[1H-Inden-4-ol, methyl-]
IX.A-22
4428. 73850-09-6 1 0 0 1H-Indenol, tetramethyl-
[1H-Inden-4-ol, tetramethyl-]
IX.A-22
4429. 73850-10-9 1 0 0 1H-Indenol, trimethyl-
[1H-Inden-4-ol, trimethyl-]
IX.A-22
4430. 1641-41-4 1 0 0 1H-Indenol, 2,3-dihydro-
[1H-Inden-4-ol, 2,3-dihydro-]
IX.A-22
4431. 1470-94-6 1 0 0 1H-Inden-5-ol, 2,3-dihydro- IX.A-22
4432. 30286-23-8 1 0 0 Indenone, dihydro- III-13
4433. 72692-87-6 1 0 0 Indenone, 1,3(or 2,3)-dihydrodimethyl- III-13
4434. 480-90-0 1 0 0 1H-Inden-1-one III-13
4435. 83-33-0 1 0 0 1H-Inden-1-one, 2,3-dihydro-
{1-indanone}
O
1
2
3
4
5
6
7
III-13
4436. 71278-03-0 1 0 0 1H-Inden-1-one, 2,3-dihydrodimethyl- {6 isomers detected}
III-13
4437. 66309-83-9 1 0 0 1H-Inden-1-one, 2,3-dihydro-2,6-dimethyl- III-13
4438. 17714-57-7 1 0 0 1H-Inden-1-one, 2,3-dihydro-3,5-dimethyl- III-13
4439. 5037-60-5 1 0 0 1H-Inden-1-one, 2,3-dihydro-4,7-dimethyl- III-13
4440. 71278-04-1 1 0 0 1H-Inden-1-one, 2,3-dihydro-ethyl- III-13
4441. 57878-30-5 0 1 0 1H-Inden-1-one, 2,3-dihydro-5-hydroxy-3-methyl- III-13
164
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4442. 72692-69-4 1 0 0 1H-Inden-1-one, 2,3-dihydro(methoxymethyl)- III-13
4443. 65436-86-4 1 0 0 1H-Inden-1-one, 2,3-dihydromethyl- {4 isomers detected}
III-13
4444. 17496-14-9 1 0 0 1H-Inden-1-one, 2,3-dihydro-2-methyl- III-13
4445. 6072-57-7 1 0 0 1H-Inden-1-one, 2,3-dihydro-3-methyl- III-13
4446. 24644-78-8 1 0 0 1H-Inden-1-one, 2,3-dihydro-4-methyl- III-13
4447. 4593-38-8 1 0 0 1H-Inden-1-one, 2,3-dihydro-5-methyl- III-13
4448. 24623-20-9 1 0 0 1H-Inden-1-one, 2,3-dihydro-6-methyl- III-13
4449. 66288-51-5 1 0 0 1H-Inden-1-one, 2,3-dihydrotrimethyl- {3 isomers detected}
III-13
4450. 54789-23-0 1 1 1 1H-Inden-1-one, 2,3-dihydro-3,3,5,7-tetramethyl- III-13
4451. 35322-84-0 1 0 0 1H-Inden-1-one, 2,3-dihydro-3,4,7-trimethyl- III-13
4452. 22303-81-7 1 0 0 1H-Inden-1-one, 3-methyl- III-13
4453. 615-13-4 1 0 0 2H-Inden-2-one, 1,3-dihydro- III-13
4454. 1 0 0 2H-Inden-2-one, dimethyl- III-13
4455. 1 0 0 2H-Inden-2-one, methyl- III-13
4456. 39815-71-9 0 1 0 2H-Inden-2-one, 1,4,5,6,7,7a-hexahydro-1-hydroxy-1,4,4,7a-tetramethyl-
H3C CH3
O
OH
H3CCH3
1
23
45
67
II.A-5, III-13
4457. 220-97-3 1 0 0 11H-Indeno[2,1-a]phenanthrene
{11H-naphtho[2,1-a]fluorene}
I.E-6
4458. 193-39-5 1 0 0 Indeno[1,2,3-cd]pyrene {o-phenylenepyrene}
I.E-6
4459. 64158-99-2 1 0 0 Indeno[1,2,3-cd]pyrene, dimethyl-
{at least 2 isomers present in MSS}
I.E-6
4460. 64158-98-1 1 0 0 Indeno[1,2,3-cd]pyrene, methyl-
{at least 2 isomers present in MSS}
I.E-6
4461. 1 0 0 Indeno[1,2,3-cd]pyrene, trimethyl-
{at least 2 isomers present in MSS}
I.E-6
4462. 244-99-5 1 0 0 5H-Indeno[1,2-b]pyridine {4-azafluorene}
N1
2
3
45
XVII.E-6
4463. 1 0 0 5H-Indeno[1,2-b]pyridine, dimethyl- XVII.E-6
4464. 1 0 0 5H-Indeno[1,2-b]pyridine, methyl- XVII.E-6
4465. 7440-74-6 1 1 1 Indium In XX-5
4466. 120-72-9 1 1 1 1H-Indole {2,3-benzopyrrole} NH
2
34
5
6
7
XVII.E-6
165
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4467. 1 0 0 1H-Indole, alkyl- XVII.E-6
4468. 5192-03-0 1 0 0 1H-Indole, 5-amino- XVII.E-6
4469. 55191-12-3 1 0 0 1H-Indole, 1,3-dibutyl- XVII.E-6
4470. 496-15-1 0 1 0 1H-Indole, 2,3-dihydro- {indoline} XVII.E-6
4471. 6872-06-6 0 1 0 1H-Indole, 2,3-dihydro-2-methyl- XVII.E-6
4472. 78210-52-3 1 0 0 1H-Indole, 2,3-dihydro-3-(3-pyridinylmethyl)- XVII.E-6
4473. 29930-57-2 1 0 0 1H-Indole, dimethyl- XVII.E-6
4474. 875-79-6 1 0 0 1H-Indole, 1,2-dimethyl- XVII.E-6
4475. 875-30-9 1 0 0 1H-Indole, 1,3-dimethyl- XVII.E-6
4476. 27816-52-0 1 0 0 1H-Indole, 1,4-dimethyl- XVII.E-6
4477. 27816-53-1 1 0 0 1H-Indole, 1,5-dimethyl- XVII.E-6
4478. 5621-15-8 1 0 0 1H-Indole, 1,6-dimethyl- XVII.E-6
4479. 5621-16-9 1 0 0 1H-Indole, 1,7-dimethyl- XVII.E-6
4480. 91-55-4 1 0 0 1H-Indole, 2,3-dimethyl- XVII.E-6
4481. 1196-79-8 1 0 0 1H-Indole, 2,5-dimethyl- XVII.E-6
4482. 5621-14-7 1 0 0 1H-Indole, 3,7-dimethyl- XVII.E-6
4483. 64844-47-9 1 0 0 1H-Indole, dimethylethyl- XVII.E-6
4484. 64844-49-1 1 0 0 1H-Indole, dimethylpropyl- XVII.E-6
4485. 97542-81-9 1 0 0 1H-Indole, ethyl- XVII.E-6
4486. 10604-59-8 1 0 0 1H-Indole, 1-ethyl- XVII.E-6
4487. 3484-18-2 1 0 0 1H-Indole, 2-ethyl- XVII.E-6
4488. 1484-19-1 1 0 0 1H-Indole, 3-ethyl- XVII.E-6
4489. 68742-28-9 1 0 0 1H-Indole, 5-ethyl- XVII.E-6
4490. 64844-45-7 1 0 0 1H-Indole, ethylmethyl- XVII.E-6
4491. 64844-50-4 1 0 0 1H-Indole, ethylpropyl- XVII.E-6
4492. 27323-28-0 1 1 1 1H-Indole, methyl- XVII.E-6
4493. 603-76-9 1 0 0 1H-Indole, 1-methyl- XVII.E-6
4494. 95-20-5 1 1 1 1H-Indole, 2-methyl- XVII.E-6
4495. 83-34-1 1 1 1 1H-Indole, 3-methyl- {skatole} XVII.E-6
4496. 16096-32-5 1 0 0 1H-Indole, 4-methyl- XVII.E-6
4497. 614-96-0 1 0 0 1H-Indole, 5-methyl- XVII.E-6
4498. 3420-02-8 1 0 0 1H-Indole, 6-methyl- XVII.E-6
4499. 933-67-5 1 0 0 1H-Indole, 7-methyl- XVII.E-6
4500. 1 0 0 1H-Indole, (1-methylethyl)- XVII.E-6
4501. 1 0 0 1H-Indole, methylphenyl- XVII.E-6
4502. 64844-46-8 1 0 0 1H-Indole, methylpropyl- XVII.E-6
4503. 948-65-2 1 1 1 1H-Indole, 2-phenyl- XVII.E-6
4504. 1504-16-1 1 0 0 1H-Indole, 3-phenyl- XVII.E-6
4505. 64844-44-6 1 0 0 1H-Indole, propyl- XVII.E-6
4506. 1859-92-3 1 0 0 1H-Indole, 3-propyl- XVII.E-6
4507. 64844-48-0 1 0 0 1H-Indole, tetramethyl- XVII.E-6
166
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4508. 30642-36-5 1 0 0 1H-Indole, trimethyl- XVII.E-6
4509. 1971-46-6 1 0 0 1H-Indole, 1,2,3-trimethyl- XVII.E-6
4510. 21296-92-4 1 0 0 1H-Indole, 2,3,5-trimethyl- XVII.E-6
4511. 54340-99-7 1 0 0 1H-Indole, 5,6,7-trimethyl- XVII.E-6
4512. 31212-21-2 0 1 0 1H-Indoleacetamide XIII-1
4513. 32536-43-9 0 1 0 1H-Indoleacetic acid IV.A-3
4514. 0 1 0 1H-Indole-2-acetonitrile, 1-methyl- XI-2
4515. 87-51-4 0 1 0 1H-Indole-3-acetic acid IV.A-3, XXI-3
4516. 1912-33-0 0 1 0 1H-Indole-3-acetic acid, methyl ester V-3
4517. 771-51-7 0 1 0 1H-Indole-3-acetonitrile XI-2
4518. 133-32-4 0 1 0 1H-Indole-3-butanoic acid IV.A-3, XXI-3
4519. 0 1 0 1H-Indole-3-butanoic acid, methyl ester V-3
4520. 487-89-8 0 1 0 1H-Indole-3-carboxaldehyde III-12
4521. 771-50-6 0 1 0 1H-Indole-3-carboxylic acid IV.A-3
4522. 942-24-5 0 1 0 1H-Indole-3-carboxylic acid, methyl ester NH
2
4
5
6
7
COO-CH3
V-3
4523. 61-54-1 0 1 0 1H-Indole-3-ethanamine XII-2
4524. 526-55-6 0 1 0 1H-Indole-3-ethanol II.A-5
4525. 830-96-6 0 1 0 1H-Indole-3-propanoic acid IV.A-3
4526. 5548-09-4 0 1 0 1H-Indole-3-propanoic acid, methyl ester V-3
4527. 35656-49-6 0 1 0 1H-Indolepropanoic acid, α-oxo- III-13, IV.A-3
4528. 392-12-1 0 1 0 1H-Indole-3-propanoic acid, α-oxo- III-13, IV.A-3
4529. 1761-10-0 0 1 0 Indolizine, 3-methyl- XVII.E-6
4530. 1761-11-1 1 0 0 Indolizine, 6-methyl-
N
XVII.E-6
4531. 54906-44-4 1 1 1 8(5H)-Indolizinone, 5,6,7,8-tetrahydro- {5-oxocyclohexa[a]pyrrole}
N
O
III-13
4532. 55041-88-8 0 1 0 8(5H)-Indolizinone, 6,7-dihydro-2-methyl- III-13
4533. 50-67-9 0 1 0 1H-Indol-5-ol, 3-(2-aminoethyl)- XII-2
4534. 59-48-3 1 0 0 2H-Indol-2-one, 1,3-dihydro-
{phthalimidine; oxindole} NH
O
XVII.C-1
4535. 15379-45-0 1 0 0 2H-Indol-2-one, 1,3-dihydro-3-ethyl- XVII.C-1
4536. 1 0 0 2H-Indol-2-one, 1,3-dihydro-3-methyl- XVII.C-1
4537. 20200-86-6 0 1 0 2H-Indol-2-one, 1,3-dihydro-1,3,3-trimethyl- XVII.C-1
4538. 58074-25-2 0 1 0 3H-Indol-3-one, 2,3,4,5,6,7-hexahydro-
{4,5,6,7-tetrahydro-3-indolinone}
NH
O
III-13
167
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4539. 6917-35-7 1 1 1 Inositol II.A-5
4540. 87-89-8 1 1 1 myo-Inositol OH
OH
OH
OH
HO
HO
II.A-5
4541. 3615-82-5 0 1 0 myo-Inositol, hexakis(dihydrogen phosphate), calcium magnesium salt
XX-6
4542. 71608-14-5 0 1 0 myo-Inositol, O-2-(acetylamino)-2-deoxy-α-D-
glucopyranosyl-(1→4)-O-alpha-D-
glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxodocosyl)amino]octadecyl hydrogen phosphate], disodium salt
XX-6
4543. 71608-17-8 0 1 0 myo-Inositol, O-2-(acetylamino)-2-deoxy-α-D-
glucopyranosyl-(1→4)-O-alpha-D-
glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-1-[(2-hydroxy-1-oxopentacosyl)amino]octadecyl hydrogen phosphate], disodium salt
XX-6
4544. 71608-15-6 0 1 0 myo-Inositol, O-2-(acetylamino)-2-deoxy-α-D-
glucopyranosyl-(1→4)-O-alpha-D-
glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxotricosyl)amino]octadecyl hydrogen phosphate], disodium salt
XX-6
4545. 71608-16-7 0 1 0 myo-Inositol, O-2-(acetylamino)-2-deoxy-α-D-
glucopyranosyl-(1→4)-O-alpha-D-
glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxotetracosyl)amino]octadecyl hydrogen phosphate], disodium salt
XX-6
4546. 71608-19-0 0 1 0 myo-Inositol, O-2-(acetylamino)-2-deoxy-α-D-
glucopyranosyl-(1→4)-O-alpha-D-
glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxodocosyl)amino]-8-octadecenyl hydrogen phosphate], disodium salt
XX-6
4547. 71608-20-3 0 1 0 myo-Inositol, O-2-(acetylamino)-2-deoxy-α-D-
glucopyranosyl-(1→4)-O-alpha-D-
glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxotricosyl)amino]-8-octadecenyl hydrogen phosphate], disodium salt
XX-6
4548. 71608-21-4 0 1 0 myo-Inositol, O-2-(acetylamino)-2-deoxy-α-D-
glucopyranosyl-(1→4)-O-alpha-D-
glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxotetracosyl)amino]-8-octadecenyl hydrogen phosphate], disodium salt
XX-6
4549. 71608-22-5 0 1 0 myo-Inositol, O-2-(acetylamino)-2-deoxy-α-D-
glucopyranosyl-(1→4)-O-alpha-D-
glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxopentacosyl)amino]-8-octadecenyl hydrogen phosphate], disodium salt
XX-6
4550. 71608-23-6 0 1 0 myo-Inositol, O-2-(acetylamino)-2-deoxy-α-D-
glucopyranosyl-(1→4)-O-alpha-D-
glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxohexacosyl)amino]-8-octadecenyl hydrogen phosphate], disodium salt
XX-6
4551. 89194-80-9 0 1 0 myo-Inositol, O-D-glucopyranosyl- II.A-5
4552. 49741-70-0 0 1 0 D-myo-Inositol, O-D-glucopyranosyl- II.A-5
168
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4553. 0 1 0 myo-Inositol, phosphatidyl- II.A-5
4554. 20461-54-5 0 1 0 Iodide I-1 XVIII.B-3, XX-5
4555. 7553-56-2 1 1 1 Iodine I2 XVIII.B-3, XX-5
4556. 7439-88-5 1 1 1 Iridium Ir XX-5
4557. 7439-89-6 1 1 1 Iron Fe XX-5
4558. 15281-98-8 1 0 0 Iron carbonyl Fe(CO)4 XX-6
4559. 15438-31-0 0 1 0 Iron, ion Fe+2
XX-5
4560. 1332-37-2 0 1 0 Iron oxide Fe2O3 XX-6
4561. 14596-12-4 1 1 1 Iron, isotope of mass 59 59
Fe XX-5
4562. 14484-64-1 0 1 0 Iron, tris(dimethylcarbamodithioato-S,S')-, (OC-6-11)- {Ferbam®}
N
S
S-
H3C
H3C
- -
- - 3
Fe3+
XXI-3
4563. 85-44-9 0 1 0 1,3-Isobenzofurandione {phthalic anhydride}
O
O
O
VII-1
4564. 56-25-7 0 1 0 1,3-Isobenzofurandione, 3a,7a-dimethyl-4,7-epoxy-hexahydro- {cantharidin}
O
O
O
O
VII-1
4565. 87-41-2 0 1 0 1(3H)-Isobenzofuranone {phthalide} O
O
VI-3
4566. 1 0 0 1(3H)-Isobenzofuranone, methyl- VI-3
4567. 551-08-6 0 1 0 1(3H)-Isobenzofuranone, 3-butylidene- VI-3
4568. 13277-77-5 0 1 0 1(3H)-Isobenzofuranone, 3,7-dihydroxy-3,4,5,6-tetramethyl-
VI-3
4569. 66309-76-0 1 0 0 1(3H)-Isobenzofuranone, 4,5,6,7-tetrahydro- VI-3
4570. 75-13-8 0 1 0 Isocyanic acid H-N=C=O XIX-5
4571. 52845-07-5 1 0 0 Isoeicosane I.A-10
4572. 52655-10-4 0 1 0 Isoeicosanol II.A-5
4573. 52845-08-6 1 0 0 Isoheneicosane I.A-10
4574. 54365-40-1 1 1 1 Isoheptacosane I.A-10
4575. 85-41-6 1 0 0 1H-Isoindole-1,3(2H)-dione {phthalimide} O
O
NH
XIV-1
4576. 66309-86-2 1 0 0 1H-Isoindole-1,3(2H)-dione, 4,5-dimethyl- XIV-1
4577. 1 0 0 1H-Isoindole-1,3(2H)-dione, methyl- XIV-1
4578. 7251-82-3 1 0 0 1H-Isoindole-1,3(2H)-dione, 4-methyl- XIV-1
4579. 40314-06-5 1 0 0 1H-Isoindole-1,3(2H)-dione, 5-methyl- XIV-1
169
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4580. 133-06-2 1 1 1 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]- {Captan®}
XIV-1, XVIII.A-1, XVIII.B-3, XXI-3
O
N S-CCl3
O
4581. 133-07-3 0 1 0 1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]- {Folpan®}
XIV-1, XVIII.A-1, XVIII.B-3, XXI-3
O
N S-CCl3
O
4582. 480-91-1 1 0 0 1H-Isoindol-1-one, 2,3-dihydro- XIV-1
4583. 6091-76-5 1 0 0 1H-Isoindol-1-one, 2,3-dihydro-3-methyl- XIV-1
4584. 7004-09-3 0 1 0 Isoleucine H3C-CH2-CH(CH3)-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
4585. 1509-34-8 0 1 0 Isoleucine, allo- IV.A-3, IV.B-7, XII-2
4586. 73-32-5 0 1 0 L-Isoleucine H3C-CH2-CH(CH3)-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
4587. 139681-66-6 0 1 0 L-Isoleucine, N-[N-[N-(N-L-methionyl-L-valyl)-L-phenylalanyl]-L-leucyl]-
IV.A-3, IV.B-7, XII-2, XVIII.A-1
4588. 80449-01-0 0 1 0 Isomerase, deoxyribonucleate topo- XXII-2
4589. 9001-41-6 0 1 0 Isomerase, glucose phosphate XXII-2
4590. 9055-95-2 0 1 0 Isomerase, pentose phosphate XXII-2
4591. 9023-83-0 0 1 0 Isomerase, ribose phosphate XXII-2
4592. 52701-70-9 0 1 0 Isopentacosane I.A-10
4593. 27836-87-9 0 1 0 Isopentadecanoic acid IV.A-3
4594. 0 1 0 Isoperoxidase A3 XXII-2
4595. 1 0 0 Isoquinolinamine XII-2
4596. 1532-84-9 1 0 0 1-Isoquinolinamine XII-2
4597. 119-65-3 1 1 1 Isoquinoline
XVII.E-6
4598. 64828-50-8 1 0 0 Isoquinoline, butyl- XVII.E-6
4599. 7661-38-3 1 0 0 Isoquinoline, 1-butyl- XVII.E-6
4600. 64973-79-1 1 0 0 Isoquinoline, dihydro- XVII.E-6
4601. 65312-77-8 1 0 0 Isoquinoline, dihydroethyl- XVII.E-6
4602. 65312-79-0 1 0 0 Isoquinoline, dihydromethyl- XVII.E-6
4603. 1 0 0 Isoquinoline, dimethyl- XVII.E-6
4604. 64828-51-9 1 0 0 Isoquinoline, ethyl- XVII.E-6
4605. 61010-32-0 0 1 0 Isoquinoline, 1-[(4-methoxy-3-nitrophenyl)methyl]-, mononitrate
XVII.E-6
4606. 58853-80-8 1 0 0 Isoquinoline, methyl-
{several methylquinolines detected in MSS}
XVII.E-6
4607. 1721-93-3 1 0 0 Isoquinoline, 1-methyl- XVII.E-6
4608. 1125-80-0 1 0 0 Isoquinoline, 3-methyl- XVII.E-6
4609. 64828-49-5 1 0 0 Isoquinoline, (1-methylethyl)- XVII.E-6
170
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4610. 1 0 0 Isoquinoline, methyltetrahydro- XVII.E-6
4611. 64849-98-5 1 0 0 Isoquinoline, propyl- XVII.E-6
4612. 29832-78-8 1 0 0 Isoquinoline, tetrahydro- XVII.E-6
4613. 64849-99-6 1 0 0 Isoquinolinecarbonitrile XI-2
4614. 1198-30-7 1 0 0 1-Isoquinolinecarbonitrile XI-2
4615. 0 1 0 5,6-Isoquinolinedione, 7,8-dihydro-1,3,7,7-tetramethyl-
III-13
4616. 55713-38-7 0 1 0 8(5H)-Isoquinolinone, 6,7-dihydro-1,3,6,6-tetramethyl- [6,7-dihydro- or 5,6,7,8-tetrahydro-?]
N
CH3 O
CH3
CH3
H3C
III-13
4617. 27137-10-6 1 0 0 Isotetradecanoic acid, methyl ester V-3
4618. 556-61-6 0 1 0 Isothiocyanic acid, methyl- {Trapex®} H3C-N=S XVIII.A-1, XXI-3
4619. 288-16-4 1 0 0 Isothiazole XVIII.A-1
4620. 34425-19-9 1 0 0 Isotriacontane I.A-10
4621. 288-14-2 0 1 0 Isoxazole XVII.D-2
4622. 300-87-8 0 1 0 Isoxazole, 3,5-dimethyl- XVII.D-2
4623. 10557-82-1 1 0 0 Isoxazole, trimethyl- = Isoxazole, 3,4,5-trimethyl-
O
NH3C
H3C CH3
XVII.D-2
4624. 81777-89-1 0 1 0 3-Isoxazolidinone 2-((2-chlorophenyl)methyl)-4,4-dimethyl- {Clomazone®}
O
N
Cl
O
XVII.D-2,
XVIII.B-3,
XXI-3
4625. 9013-02-9 0 1 0 Kinase (phosphorylating), adenylate XXII-2
4626. 9012-50-4 0 1 0 Kinase (phosphorylating), aspartate XXII-2
4627. 9026-67-9 0 1 0 Kinase (phosphorylating), choline XXII-2
4628. 9001-36-9 0 1 0 Kinase (phosphorylating), gluco- XXII-2
4629. 9026-62-4 0 1 0 Kinase (phosphorylating), glucurono- XXII-2
4630. 9001-51-8 0 1 0 Kinase (phosphorylating), hexo- XXII-2
4631. 9032-66-0 0 1 0 Kinase (phosphorylating), nicotinamide adenine dinucleotide
XXII-2
4632. 9001-80-3 0 1 0 Kinase (phosphorylating), phosphofructo- XXII-2
4633. 9032-96-6 0 1 0 Kinase (phosphorylating), phosphogluco- XXII-2
4634. 150656-38-5 0 1 0 Kinase (phosphorylating), protein (tobacco BY-2 cell isoenzyme ZmPK1 reduced)
XXII-2
4635. 9001-59-6 0 1 0 Kinase (phosphorylating), pyruvate XXII-2
4636. 9027-40-1 0 1 0 Kinase (phosphorylating), pyruvate-phosphate di- XXII-2
4637. 9030-57-3 0 1 0 Kinase (phosphorylating), ribulo- XXII-2
4638. 9031-51-0 0 1 0 Kinase (phosphorylating), shikimate XXII-2
4639. 63-42-3 0 1 0 Lactose II.A-5, VIII-3
4640. 79-62-9 0 1 0 Lanost-8-en-3-ol, (3β)- II.B-2
4641. 6890-88-6 0 1 0 Lanost-8-en-3-ol, 24-methylene-, (3β)- II.B-2
4642. 26409-08-5 0 1 0 Lanost-9(11)-en-3-ol, 24,25-epoxy-, (3β)- II.B-2
171
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4643. 79-63-0 0 1 0 Lanosta-8,24-dien-3-ol, (3β)- {lanosterol}
CH3
CH3
CH3
H3C CH3
HO
H3C
CH3
II.B-2
4644. 67493-77-0 0 1 0 Lanostane-3,7,11-triol, 3,7-diacetate, (3β,7β,11β)- II.B-2, V-3
4645. 70898-27-0 0 1 0 Lanostane-3,7-diol, (3β,7β)- II.B-2
4646. 7439-91-0 1 1 1 Lanthanum La XX-5
4647. 13981-28-7 1 1 1 Lanthanum, isotope of mass 140 140
La XX-5
4648. 7439-92-1 1 1 1 Lead Pb XX-5
4649. 14255-04-0 1 1 1 Lead, isotope of mass 210 210
Pb XX-5
4650. 15092-94-1 0 1 0 Lead, isotope of mass 212 212
Pb XX-5
4651. 15067-28-4 0 1 0 Lead, isotope of mass 214 214
Pb XX-5
4652. 0 1 0 Lead, isotope of mass 218 218
Pb XX-5
4653. 0 1 0 Lecithins XII-2
4654. 7005-03-0 1 1 1 Leucine (H3C)2=CH-CH2-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
4655. 61-90-5 0 1 0 L-Leucine IV.A-3, IV.B-7, XII-2
4656. 139681-65-5 0 1 0 L-Leucine, N-[N-[N-[N-[N-[N-[N-(N-L-methionyl-L-phenylalanyl)-L-seryl]-L-leucyl]-L-leucyl]-L-methionyl]-L-valyl]-L-valyl]-
IV.A-3, IV.B-7, XII-2
4657. 9005-53-2 0 1 0 Lignin VIII-3
4658. 8068-04-0 0 1 0 Lignin, Klason VIII-3
4659. 8068-00-6 0 1 0 Lignin, milled wood VIII-3
4660. 9001-62-1 0 1 0 Lipase, triacylglycerol XXII-2
4661. 0 1 0 Lipoxygenase XXII-2
4662. 7439-93-2 1 1 1 Lithium Li XX-5
4663. 17341-24-1 0 1 0 Lithium, ion Li+1
XX-5
4664. 545-47-1 0 1 0 Lup-20(29)-en-3-ol, (3β)-
HO
II.B-2
4665. 7439-94-3 1 1 1 Lutecium Lu XX-5
4666. 9045-78-7 0 1 0 Lyase, isocitrate XXII-2
4667. 9015-75-2 0 1 0 Lyase, pectate XXII-2
4668. 6899-06-5 0 1 0 Lysine H2N-(CH2)4-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
4669. 28902-93-4 0 1 0 Lysine, hydroxy- IV.A-3, IV.B-7, XII-2
4670. 56-87-1 0 1 0 L-Lysine H2N-(CH2)4-CH(NH2)-COOH
IV.A-3, IV.B-7
172
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4671. 1114-34-7 0 1 0 Lyxose O
OH OH
OHHO
II.A-5, X-2
4672. 90803-60-4 0 1 0 M-1nkh XXII-2
4673. 14428-12-7 0 1 0 Magnesate(1-), [9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(3-)-N23,N24,N25,N26]-,
hydrogen, [SP-4-2-[3S-(3α,4β,21β)]]- {chlorophyllide b}
XX-6
4674. 14897-06-4 0 1 0 Magnesate(1-), [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-N23,N24,N25,N26]-,
hydrogen, [SP-4-2-[3S-(3α,4β,21β)]]- {chlorophyllide a}
XX-6
4675. 15611-43-5 0 1 0 Magnesate(3-), [18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12, 17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N21,N22,N23,N24]-, trihydrogen, [SP-4-2-(2S-trans)]- {chlorophyllin}
XX-6
4676. 7439-95-4 1 1 1 Magnesium Mg XX-5
4677. 22537-22-0 0 1 0 Magnesium, ion Mg+2
XX-5
4678. 1309-48-4 0 1 0 Magnesium oxide MgO XX-6
4679. 479-61-8
42617-16-3
0 1 0 Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP-
4-2-[3S-[3α(2E,7S*,11S*),4β,21β]]]-
{chlorophyll a}
XX-6
4680. 519-62-0 0 1 0 Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP-
4-2-[3S-[3α(2E,7S*,11S*),4β,21β]]]-
{chlorophyll b}
XX-6
4681. 0 1 0 Maltase XXII-2
4682. 69-79-4 0 1 0 α-Maltose
CH2OH CH2OH
O O
O
OH
OH
OH
OH
OH
OH
II.A-5,
VIII-3
4683. 0 1 0 β-Maltose II.A-5
4684. 7439-96-5 1 1 1 Manganese Mn XX-5
4685. 13446-35-0 0 1 0 Manganese chloride MnCl4 XX-6
4686. 12427-38-2 0 1 0 Manganese, [[1,2-ethanediylbis[carbamodithioato]](2-)]- {Maneb®} S- S-
Mn2+
S S
NHHN
XVIII.A-1,
XX-6,
XXI-3
173
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4687. 8018-01-7 0 1 0 Manganese, [[1,2-ethanediylbis[carbamo-dithioato]](2-)] + zinc, [[1,2-ethanediylbis-[carbamodithioato]](2-)] {Mancozeb®}
Maneb +
S- S-
Zn2+
S S
NHHN
XVIII.A-1,
XX-6,
XXI-3
4688. 16397-91-4 0 1 0 Manganese, ion Mn+2
XX-5
4689. 14681-52-8 0 1 0 Manganese, isotope of mass 56 56
Mn XX-5
4690. 69-65-8 1 1 1 D-Mannitol {cordycepic acid} HOCH2-(CHOH)4-CH2OH II.A-5
4691. 31103-86-3 1 1 1 Mannose CH2OH
HO
OH
O
OH
OH
II.A-5
VIII-3
4692. 3458-28-4 1 1 1 D-Mannose {seminose} II.A-5, VIII-3
4693. 14307-02-9 0 1 0 D-Mannose, 2-amino-2-deoxy- {mannosamine} II.A-5, XII-2
4694. 3615-41-6 1 1 1 L-Mannose, 6-deoxy- {α-rhamnose} OOH
CH3
HO
OHOH
II.A-5, VIII-3
4695. 9025-42-7 0 1 0 Mannosidase, α- XXII-2
4696. 8049-97-6 0 1 0 Melanin XXII-2
4697. 585-99-9 0 1 0 Melibiose
O
CH2OH
OH
OH
HO
O
CH2
O
OH
OH
OH
HO
II.A-5, VIII-3
4698. 7439-97-6 1 1 1 Mercury Hg XX-5
4699. 13982-78-0 0 1 0 Mercury, isotope of mass 203 203
Hg XX-5
4700. 9002-91-9 0 1 0 Metaldehyde {acetaldehyde tetramer} XXI-3
4701. 74-89-5 1 1 1 Methanamine {methylamine} H3C-NH2 XII-2
4702. 75-50-3 1 1 1 Methanamine, N,N-dimethyl- {trimethylamine} (H3C)3≡N XII-2
4703. 124-40-3 1 1 1 Methanamine, N-methyl- {dimethylamine} (H3C)2=NH XII-2
4704. 62-75-9 1 1 1 Methanamine, N-methyl-N-nitroso- {NDMA} (H3C)2=N-NO(H3C)2=NH XII-2, XV-8
4705. 107-43-7 0 1 0 Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt {betaine}
-OOC-CH2-N
+≡(CH3)3 XII-2
4706. 74-82-8 1 0 0 Methane CH4 1.A-10
4707. 74-83-9 1 1 1 Methane, bromo- {Brom-o-Gas®,
Methogas®, Profume®, Terr-o-Gas®, Zytox®}
H3C-Br XVIII.B-3, XXI-3
4708. 74-87-3 1 0 0 Methane, chloro- H3C-Cl XVIII.B-3, XXI-3
4709. 75-09-2 1 1 1 Methane, dichloro- H2C=Cl2 XVIII.B-3, XXI-3
4710. 75-71-8 1 0 0 Methane, dichlorodifluoro- CF2Cl2 XVIII.B-3
4711. 74-88-4 1 0 0 Methane, iodo- H3C-I XVIII.B-3
4712. 624-83-9 1 0 0 Methane, isocyanato- {methyl isocyanate} H3C-N=C=O V-3
4713. 75-52-5 1 0 0 Methane, nitro- H3C-NO2 XVI-1
4714. 76-06-2 0 1 0 Methane, nitrotrichloro- {Chloropicrin®} Cl3≡C-NO2 XVI-1, XXI-3
4715. 115-10-6 0 1 0 Methane, oxybis- {dimethyl ether} H3C-O-CH3 X-2
174
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4716. 67-68-5 0 1 0 Methane, sulfinylbis- XVIII.A-1
4717. 75-18-3 1 1 1 Methane, thiobis- {methyl sulfide} (H3C)2=S XVIII.A-1
4718. 67-66-3 1 1 1 Methane, trichloro- {chloroform} H-C≡Cl3 XVIII.B-3, XXI-3
4719. 75-69-4 1 1 1 Methane, trichlorofluoro- F-C≡Cl3 XVIII.B-3
4720. 37924-13-3 0 1 0 Methanesulfonamide, trifluoro-N-(2-methyl-4-(phenylsulfonyl)phenyl)- {Perfluidone®} S NH-S-CF3
O O
OO
XXI-3
4721. 74-93-1 1 0 0 Methanethiol {methyl mercaptan} H3C-SH XVIII.A-1
4722. 475-20-7 0 1 0 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-
methylene-, [1S-(1α,3aβ,4α,8aβ)]-
I.C-1
4723. 469-61-4 0 1 0 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-
3,6,8,8-tetramethyl-, [3R-(3α,3aβ,7β,8aα)]-
I.C-1
4724. 77-53-2 0 1 0 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-
tetramethyl-, [3R-(3α,3aβ,6α,7β,8aα)]- CH3
CH3
OH
CH3
CH3
II.A-5
4725. 4586-22-5 0 1 0 4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, stereoisomer
II.A-5
4726. 17622-35-4 0 1 0 4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, acetate, stereoisomer
V-3
4727. 1031-07-8 1 1 1 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide
{Thiodan® sulfate; Endosulfan® sulfate}
CCl2
O
OS
Cl
Cl
Cl
Cl
O
O
XVIII.B-3,
XXI-3
4728. 115-29-7 1 1 1 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide
{Thiodan®; Thiosulfan®; Endosulfan®}
CCl2
O
OS O
Cl
Cl
Cl
Cl
XVIII.B-3,
XXI-3
4729. 33213-65-9 1 1 1 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-
hexahydro-, 3-oxide, (3α,5aα,6β,9β,9aα)-
{β-Endosulfan®}
XVIII.B-3, XXI-3
4730. 959-98-8 1 1 1 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-
hexahydro-, 3-oxide, (3α,5aβ,6α,9α,9aβ)-
{α-Endosulfan®}
XVIII.B-3, XXI-3
4731. 88125-11-5 0 1 0 7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7-one, 1a,2,3,4,7a,7b-hexahydro-1a,5,7b-trimethyl-,
[1aS-(1aα,2β,4aβ,7aα,7bα)]-
III-13
4732. 105300-09-2 0 1 0 7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7-
one, 1a-[(β-D- glucopyranosyloxy)methyl]octahydro-5,7b-dimethyl-
III-13
4733. 125537-96-4 0 1 0 7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7-
one, 3-(β-D-glucopyranosyloxy)octahydro-1a,5,7b-
trimethyl-, [1aS-(1aα,2β,3β,4aβ,5α,7aα,7bα)]-
II.A-5, III-13
4734. 125537-95-3 0 1 0 7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7-
one, 4-(β-D-glucopyranosyloxy)octahydro-1a,5,7b-
trimethyl-, [1aS-(1aα,2β,4β,4aβ,5α,7aα,7bα)]-
II.A-5, III-13
175
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4735. 105300-10-5 0 1 0 7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7-
one, 5-[(β-D-glucopyranosyloxy)methyl]octahydro-
1a,7b-dimethyl-, [1aS-(1aα,2β,4aβ,5α,7aα,7bα)]-
II.A-5, III-13
4736. 88848-60-6 0 1 0 7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7-
one, 6-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]octahydro-1a,5,7b-trimethyl-,
[1aS-(1aα,2β,4aβ,5α,6β,7aα,7bα )]-
II.A-5, III-13
4737. 68690-84-6 0 1 0 7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7-one, octahydro-1a,5,7b-trimethyl-, [1aS-
(1aα,2β,4aβ,5α,7aα,7bα)]-
III-13
4738. 76-44-8 1 1 1 4,7-Methano-1H-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro- {Heptachlor®}
XVIII.B-3,
XXI-3
4739. 5103-71-9 0 1 0 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro- {α-Chlordane®}
CCl2
Cl
Cl
Cl
Cl
Cl
Cl
XVIII.B-3,
XXI-3
4740. 12789-03-6 0 1 0 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro- {γ-Chlordane®}
XVIII.B-3, XXI-3
4741. 1024-57-3 1 1 1 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-
hexahydro-, (1aα,1bβ,2α,5α,5aβ,6β,6aα)-
{Heptachlor® epoxide}
CCl2
O
Cl
Cl Cl
Cl
Cl
XVIII.B-3,
XXI-3
4742. 297-78-9 1 1 1 4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-
{Isobenzan®; Telodrin®}
CCl2
Cl
Cl
Cl
Cl
ClCl
O
XVIII.B-3,
XXI-3
4743. 113-48-4 0 1 0 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-
XIV-1, XXI-3
4744. 67-56-1 1 1 1 Methanol H3C-OH II.A-5
4745. 5293-97-0 1 1 1 Methanone, bis(2-chlorophenyl)- III-13, XVIII.B-3, XXI-3
4746. 90-98-2 1 0 0 Methanone, bis(4-chlorophenyl)- III-13, XVIII.B-3, XXI-3
C
O
Cl Cl
4747. 24966-13-0 1 0 0 Methanone, cyclopropyl-3-pyridinyl- III-13
4748. 119-61-9 1 1 1 Methanone, diphenyl- {benzophenone} C6H5-CO-C6H5 III-13
4749. 5162-03-8 0 1 0 Methanone, (2-chlorophenyl)phenyl- III-13, XVIII.B-3
176
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4750. 2385-85-5 0 1 0 1,3,4-Metheno-1H-cyclobuta[cd])pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro- {Mirex®}
XXI-3
4751. 7005-18-7 0 1 0 Methionine XVIII.A-1
4752. 63-68-3 0 1 0 L-Methionine H3C-S-(CH2)2-CH(NH2)-COOH XVIII.A-1
4753. 20236-97-9 0 1 0 D-Methionine, N-(carboxyacetyl)- XVIII.A-1
4754. 2143-68-2 1 0 0 Methoxy radical CH3O XXVII-1
4755. 2229-07-4 1 0 0 Methyl radical CH3 XXVII-1
4756. 55285-14-8 0 1 0 Methylcarbamic acid, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl [(di-N-butylamino)thio] ester {Carbosulfan®} O
OOC-N(CH3)-S-N
(CH2)3-CH3
(CH2)3-CH3
XXI-3
4757. 2032-59-9 0 1 0 Methylcarbamic acid, 4-(dimethylamino)-3-methylphenyl ester {Aminocarb®}
(H3C)2N OOC-NH-CH3
CH3
XXI-3
4758. 2032-65-7 0 1 0 Methylcarbamic acid, 3,5-dimethyl-4-(methylthio)phenyl ester {Methiocarb®}
H3C-NH-COO
S
XXI-3
4759. 29973-13-5 0 1 0 Methylcarbamic acid, 2-((ethylthio)methyl)phenyl ester {Ethiofencarb®}
SH3C-NH-COO
XXI-3
4760. 1822-74-8 1 0 0 Methyl ethenyl sulfide H3C-S-CH=CH2 XVIII.A-1
4761. 50936-45-3 0 1 0 Methyltransferase, caffeate XXII-2
4762. 9012-25-3 0 1 0 Methyltransferase, catechol XXII-2
4763. 152288-82-9 0 1 0 Methyltransferase, catechol (tobacco clone OMT3.4 isoenzyme II reduced)
XXII-2
4764. 9012-40-2 0 1 0 Methyltransferase, homocysteine XXII-2
4765. 9027-77-4 0 1 0 Methyltransferase, methionine S- XXII-2
4766. 9055-07-6 0 1 0 Methyltransferase, protein (arginine) XXII-2
4767. 9075-39-2 0 1 0 Methyltransferase, putrescine XXII-2
4768. 7439-98-7 1 1 1 Molybdenum Mo XX-5
4769. 16065-87-5 0 1 0 Molybdenum, ion Mo+6
XX-5
4770. 110-91-8 0 1 0 Morpholine X-2, XVII.D-2
4771. 110488-70-5 0 1 0 Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)- {Dimethomorph®; Acrobat®}
X-2, XVII.D-2, XVIII.B-3, XXI-3
4772. 147688-58-2 0 1 0 Morpholine, 2,2-dimethyl- X-2, XVII.D-2
4773. 59-89-2 1 1 1 Morpholine, 4-nitroso- {NMOR}
X-2, XV-8, XVII.D-2
4774. 70699-77-3 0 1 0 3-Morpholinepropanamide, 2-oxo-6-(1,2,3,4-
tetrahydroxybutyl)-, [3S-[3α,6α(1R*,2S*,3S*)]]-
X-2, XVII.D-2
4775. 9047-56-7 0 1 0 Mutase XXII-2
177
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4776. 92-24-0 1 0 0 Naphthacene
I.E-6
4777. 5385-22-8 1 0 0 Naphth[1,2-e]acephenanthrylene {dibenzo[b,j]fluoranthene}
I.E-6
4778. 28258-64-2 1 0 0 Naphthalenamine, N-phenyl- XII-2
4779. 134-32-7 1 0 0 1-Naphthalenamine
{naphthalene, 1-amino-; α-naphthylamine}
XII-2
4780. 2246-44-8 1 0 0 1-Naphthalenamine, 2-methyl- XII-2
4781. 91-59-8 1 0 0 2-Naphthalenamine
{naphthalene, 2-amino-; β-naphthylamine}
XII-2
4782. 10546-24-4 1 0 0 2-Naphthalenamine, 3-methyl- XII-2
4783. 135-88-6 1 0 0 2-Naphthalenamine, N-phenyl- NH-C6H5
XII-2
4784. 91-20-3 1 1 1 Naphthalene 1
2
3
45
6
7
8
I.E-6
4785. 1 0 0 Naphthalene, alkyl- I.E-6
4786. 91-17-8 1 0 0 Naphthalene, decahydro- 1
2
3
45
6
7
8
8a
4a
I.C-1
4787. 29350-73-0 0 1 0 Naphthalene, decahydro-1,6-dimethyl-4-(1-methylethyl)- {cadinene}
I.C-1
4788. 3242-05-5 0 1 0 Naphthalene, decahydro-1,8a-dimethyl-7-(1-
methylethyl)-, [1S- (1α,4aα,7α,8aα)]-
I.C-1
4789. 3738-00-9 0 1 0 Naphthalene, decahydro-1-ethoxido-2,5,5,8a-tetramethyl- {ambroxan}
O-
X-2
4790. 31831-35-3 0 1 0 Naphthalene, diethyl- I.E-6
4791. 29828-28-2 1 0 0 Naphthalene, dihydro- I.E-6
4792. 72692-88-7 1 0 0 Naphthalene, dihydrodimethyl- {at least 4 isomers in MSS}
I.E-6
4793. 39292-53-0 1 0 0 Naphthalene, dihydromethyl-
{at least 3 isomers in MSS}
I.E-6
4794. 2717-44-4 1 0 0 Naphthalene, 1,2-dihydro-3-methyl- I.E-6
4795. 4373-13-1 1 0 0 Naphthalene, 1,2-dihydro-4-methyl- I.E-6
178
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4796. 67494-22-8 0 1 0 Naphthalene, 1,2-dihydro-5-methyl-3-(1-methylethenyl)-
I.E-6
4797. 1 1 1 Naphthalene, dihydrotrimethyl- {at least 2 isomers in MSS}
I.E-6
4798. 30364-38-6 1 1 1 Naphthalene, 1,2-dihydro-1,1,6-trimethyl-
I.E-6
4799. 4506-36-9 1 1 1 Naphthalene, 1,2-dihydro-1,5,8-trimethyl- I.E-6
4800. 28804-88-8 1 1 1 Naphthalene, dimethyl- I.E-6
4801. 573-98-8 1 1 1 Naphthalene, 1,2-dimethyl- I.E-6
4802. 575-41-7 1 1 1 Naphthalene, 1,3-dimethyl- I.E-6
4803. 571-58-4 1 1 1 Naphthalene, 1,4-dimethyl- I.E-6
4804. 571-61-9 1 1 1 Naphthalene, 1,5-dimethyl- I.E-6
4805. 575-43-9 1 1 1 Naphthalene, 1,6-dimethyl- I.E-6
4806. 575-37-1 1 1 1 Naphthalene, 1,7-dimethyl- I.E-6
4807. 569-41-5 1 1 1 Naphthalene, 1,8-dimethyl- I.E-6
4808. 581-40-8 1 1 1 Naphthalene, 2,3-dimethyl- I.E-6
4809. 581-42-0 1 1 1 Naphthalene, 2,6-dimethyl- I.E-6
4810. 582-16-1 1 1 1 Naphthalene, 2,7-dimethyl- I.E-6
4811. 71630-68-7 1 0 0 Naphthalene, dimethyl-2-ethenyl- I.E-6
4812. 65319-44-0 1 0 0 Naphthalene, dimethylethyl- I.E-6
4813. 71607-89-1 1 0 0 Naphthalene, 1,4-dimethyl-2-ethyl- I.E-6
4814. 66309-90-8 1 0 0 Naphthalene, 1,4-dimethyl- 5-ethyl- I.E-6
4815. 483-76-1 0 1 0 Naphthalene, 4,7-dimethyl-1,2,3,5,6,8a-hexahydro-1-(1-methylethyl)-, (1S-cis)-
I.C-1
4816. 31983-22-9 0 1 0 Naphthalene, 4,7-dimethyl-1,2,4a,5,6,8a-hexahydro-1-(1-methylethyl)- {α-muurolene}
I.C-1
4817. 483-77-2 0 1 0 Naphthalene, 1,6-dimethyl-4-(1-methylethyl)- 1,2,3,4-tetrahydro-, (1S-Z)-
I.E-6
4818. 4630-07-3 0 1 0 Naphthalene, 1,8a-dimethyl-7-(1-methylethenyl)-1,2,3,5,6,7,8,8a-octahydro- [1R 1α,7β,8a α]
{valencene}
CH3
CH3
CH2
CH3
I.C-1
179
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4819. 10219-75-7 0 1 0 Naphthalene, 1,8a-dimethyl-7-(1-methylethenyl)-1,2,3,5,6,7,8,8a-octahydro- [1R 1α,7 α,8a α]
{eremophilene}
CH3
CH3
CH2
CH3
I.C-1
4820. 71607-60-8 1 0 0 Naphthalene, dimethyl-2-phenyl- I.E-6
4821. 1 0 0 Naphthalene, dimethyltetrahydro- {at least 3 isomers in MSS}
I.E-6
4822. 51855-29-9 65338-07-0
1 0 0 Naphthalene, dimethyl-1,2,3,4-tetrahydro- {at least 5 isomers in MSS}
I.E-6
4823. 826-74-4 1 0 0 Naphthalene, 1-ethenyl- I.E-6
4824. 827-54-3 1 0 0 Naphthalene, 2-ethenyl- I.E-6
4825. 64031-89-6 1 0 0 Naphthalene, 2-ethenylmethyl- {at least 2 isomers in MSS}
I.E-6
4826. 35737-86-1 1 0 0 Naphthalene, 2-ethenyl-1-methyl- I.E-6
4827. 93-18-5 0 1 0 Naphthalene, 2-ethoxy- {β-naphthyl ethyl ether} X-2
4828. 27138-19-8 1 0 0 Naphthalene, ethyl- I.E-6
4829. 1127-76-0 1 1 1 Naphthalene, 1-ethyl- I.E-6
4830. 939-27-5 1 1 1 Naphthalene, 2-ethyl- I.E-6
4831. 31391-42-1 1 0 0 Naphthalene, ethylmethyl- I.E-6
4832. 17057-94-2 1 1 1 Naphthalene, 1-ethyl-3-methyl- I.E-6
4833. 17057-92-0 1 1 1 Naphthalene, 1-ethyl-5-methyl- I.E-6
4834. 31032-91-4 1 1 1 Naphthalene, 1-ethyl-6-methyl- I.E-6
4835. 31032-92-5 1 1 1 Naphthalene, 1-ethyl-7-methyl- I.E-6
4836. 61886-71-3 1 1 1 Naphthalene, 1-ethyl-8-methyl- I.E-6
4837. 31032-94-7 1 1 1 Naphthalene, 2-ethyl-3-methyl- I.E-6
4838. 17179-41-8 1 1 1 Naphthalene, 2-ethyl-4-methyl- {naphthalene, 3-ethyl-1-methyl-}
I.E-6
4839. 17059-53-9 1 1 1 Naphthalene, 2-ethyl-5-methyl- {naphthalene, 6-ethyl-1-methyl-}
I.E-6
4840. 7372-86-3 1 1 1 Naphthalene, 2-ethyl-6-methyl- I.E-6
4841. 17059-55-1 1 1 1 Naphthalene, 2-ethyl-7-methyl- I.E-6
4842. 77242-78-5 1 0 0 Naphthalene, hexamethyl- I.E-6
4843. 93-04-9 0 1 0 Naphthalene, 2-methoxy- X-2
4844. 1321-94-4 1 1 1 Naphthalene, methyl- I.E-6
4845. 90-12-0 1 1 1 Naphthalene, 1-methyl- I.E-6
4846. 91-57-6 1 1 1 Naphthalene, 2-methyl- I.E-6
4847. 29253-36-9 1 1 1 Naphthalene, (1-methylethyl)- I.E-6
4848. 0 1 0 Naphthalene, 2 (1-methylethyl)- I.E-6
4849. 39029-41-9 0 1 0 Naphthalene, 7-methyl-4-methylene-1-(1-methylethyl)- 1,2,3,4,4a,5,6,8a-octahydro-,
(1α,4aβ,8aα)- {γ-cadinene}
I.C-1
4850. 1 0 0 Naphthalene, methylphenyl- I.E-6
4851. 71607-61-9 1 0 0 Naphthalene, methyl-2-phenyl- I.E-6
180
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4852. 34540-66-4 0 1 0 Naphthalene, methylpropyl- I.E-6
4853. 1680-58-6 1 1 1 Naphthalene, 1-(1-methylpropyl)- I.E-6
4854. 16727-91-6 1 1 1 Naphthalene, 1-(2-methylpropyl)- I.E-6
4855. 71607-57-3 1 1 1 Naphthalene, methyltetrahydro-
{at least 3 isomers in MSS}
I.E-6
4856. 31291-71-1 1 1 1 Naphthalene, methyl-1,2,3,4-tetrahydro- I.E-6
4857. 1 1 1 Naphthalene, 1-methyl-1,2,3,4-tetrahydro- I.E-6
4858. 3877-19-8 1 1 1 Naphthalene, 2-methyl-1,2,3,4-tetrahydro- I.E-6
4859. 2809-64-5 0 1 0 Naphthalene, 5-methyl-1,2,3,4-tetrahydro- I.E-6
4860. 1680-51-9 1 1 1 Naphthalene, 6-methyl-1,2,3,4-tetrahydro-
{naphthalene, 2-methyl-5,6,7,8-tetrahydro-}
I.E-6
4861. 86-57-7 1 1 1 Naphthalene, 1-nitro- XVI-1
4862. 56908-81-7 1 1 1 Naphthalene, pentamethyl- I.E-6
4863. 605-02-7 1 1 1 Naphthalene, 1-phenyl- I.E-6
4864. 612-94-2 1 1 1 Naphthalene, 2-phenyl- I.E-6
4865. 71697-04-6 1 0 0 Naphthalene, phenyl-, monomethyl derivative I.E-6
4866. 27378-74-1 0 1 0 Naphthalene, propyl- I.E-6
4867. 2765-18-6 1 0 0 Naphthalene, 1-propyl- I.E-6
4868. 2027-19-2 1 0 0 Naphthalene, 2-propyl- I.E-6
4869. 119-64-2 1 1 1 Naphthalene, 1,2,3,4-tetrahydro- {tetralin} I.E-6
4870. 121214-18-4
1 0 0 Naphthalene, tetrahydrotrimethyl- {at least 3 isomers in MSS}
I.E-6
4871. 72843-02-8 1 0 0 Naphthalene, 1,2,3,4-tetrahydrotrimethyl- {at least 3 isomers in MSS}
I.E-6
4872. 475-03-6 1 1 1 Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl- {α-ionene}
I.E-6
4873. 21693-51-6 0 1 0 Naphthalene, 1,2,3,4-tetrahydro-1,5,8-trimethyl- I.E-6
4874. 30316-36-0 0 1 0 Naphthalene, 1,2,3,4-tetrahydro-1,6,8-trimethyl- I.E-6
4875. 28652-74-6 1 1 1 Naphthalene, tetramethyl- {at least 4 isomers in MSS}
I.E-6
4876. 28652-77-9 1 1 1 Naphthalene, trimethyl- {at least 10 isomers in MSS}
I.E-6
4877. 2717-42-2 1 1 1 Naphthalene, 1,2,4-trimethyl- I.E-6
4878. 3031-05-8 1 1 1 Naphthalene, 1,2,6-trimethyl- I.E-6
4879. 486-34-0 1 1 1 Naphthalene, 1,2,7-trimethyl- I.E-6
4880. 2131-39-7 1 1 1 Naphthalene, 1,3,5-trimethyl- I.E-6
4881. 3031-08-1 1 1 1 Naphthalene, 1,3,6-trimethyl- I.E-6
4882. 2131-41-1 1 0 0 Naphthalene, 1,4,5-trimethyl- I.E-6
4883. 2131-42-2 1 1 1 Naphthalene, 1,4,6-trimethyl- I.E-6
4884. 2245-38-7 1 1 1 Naphthalene, 1,6,7-trimethyl-
{naphthalene, 2,3,5-trimethyl-}
I.E-6
4885. 829-26-5 1 1 1 Naphthalene, 2,3,6-trimethyl- I.E-6
181
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4886. 68985-11-5 0 1 0 1-Naphthaleneacetaldehyde, 3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (4aS-trans)-
CHO
III-12
4887. 3243-36-5 0 1 0 1-Naphthaleneacetaldehyde, decahydro-5,5,8a-
trimethyl-2-methylene-, [1S-(1α,4aβ,8aα)]-
CHO
CH2
III-12
4888. 68982-27-4 0 1 0 1-Naphthaleneacetaldehyde, decahydro-5,5,8a-
trimethyl-2-oxo-, [1R-(1α,4aβ,8aα)]-
III-12, III-13
4889. 86-87-3 0 1 0 1-Naphthaleneacetic acid IV.A-3, XXI-3
4890. 132-75-2 1 0 0 1-Naphthaleneacetonitrile XI-2
4891. 25551-35-3 1 0 0 Naphthalenecarbonitrile XI-2
4892. 1 0 0 Naphthalenecarbonitrile, alkyl- XI-2
4893. 1 0 0 Naphthalenecarbonitrile, methyl- {2 isomers)
XI-2
4894. 86-53-3 1 0 0 1-Naphthalenecarbonitrile XI-2
4895. 23245-64-9 1 0 0 1-Naphthalenecarbonitrile, 5-nitro- XI-2
4896. 613-46-7 1 0 0 2-Naphthalenecarbonitrile XI-2
4897. 68985-10-4 0 1 0 1-Naphthalenecarboxaldehyde, 3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (4aS-trans)-
CHO
III-12
4898. 31519-22-9 0 1 0 2-Naphthalenecarboxylic acid, 1,4-dihydroxy- IV.A-3
4899. 79886-54-7 0 1 0 1,2-Naphthalenediol, decahydro-2,5,5,8a-
tetramethyl-, [1R-(1α,2β,4aβ,8aα)]-
II.A-5
4900. 37208-05-2 0 1 0 1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [1R-
(1α,3β,4β,4aα,6α)]-
OH
HO
CH3
CH3
CH2
CH3
II.A-5
4901. 114393-99-6 0 1 0 1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, 3-acetate, [1R-
(1α,3β,4.
II.A-5, V-3
4902. 65513-74-8 0 1 0 1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-6-[1-(hydroxymethyl)ethenyl]-4,4a-dimethyl-,
(1α,3β,4β,4aα,6α)-
II.A-5
4903. 92-44-4 1 0 0 2,3-Naphthalenediol IX.A-22
4904. 27656-76-4 0 1 0 2,3-Naphthalenediol, 1,2α,3β,4,5,6,7,8-octahydro-
7α-isopropenyl-1α-methyl-
II.A-5
4905. 18178-54-6 1 1 1 2,3-Naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1-
methyl-7-(1-methylethenyl)-, [1S-(1α,2β,3α,7β)]- {rishitin}
II.A-5
182
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4906. 73496-12-5 0 1 0 2,3-Naphthalenediol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-2,4-pentadienyl)-, [1S-
[1α(E),2α,3β,4aβ,8aα]]-
CH3H3C
CH3 CH3
OH
CH3
CH2
OH
II.A-5
4907. 524-42-5 1 0 0 1,2-Naphthalenedione {1,2-naphthoquinone} O
O
IX.B-2
4908. 117769-22-9 0 1 0 2,3-Naphthalenedione, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-
CH3
O
O
CH3
CH3
H2C
III-13
4909. 88125-12-6 0 1 0 2,3-Naphthalenedione, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-
III-13
4910. 130-15-4 1 0 0 1,4-Naphthalenedione {1,4-naphthoquinone} O
O
IX.B-2
4911. 117-80-6 0 1 0 1,4-Naphthalenedione, 2,3-dichloro- {Diclone®}
IX.B-2, XVIII.B-3,
XXI-3
4912. 73850-17-6 1 0 0 1,4-Naphthalenedione, dimethyl- IX.B-2
4913. 2197-57-1 1 0 0 1,4-Naphthalenedione, 2,3-dimethyl- IX.B-2
4914. 482-70-2 1 0 0 1,4-Naphthalenedione, 2,7-dimethyl- IX.B-2
4915. 68860-42-4 1 1 1 1,4-Naphthalenedione, 2,3-dimethyl-6-(4,8,12-trimethyltridecyl)-, (R*,R*)-
IX.B-2
4916. 481-39-0 0 1 0 1,4-Naphthalenedione, 5-hydroxy- {juglone} IX.B-2
4917. 1 0 0 1,4-Naphthalenedione, methyl- IX.B-2
4918. 58-27-5 1 0 0 1,4-Naphthalenedione, 2-methyl- IX.B-2
4919. 84-80-0 0 1 0 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-
{Vitamin K1}
IX.B-2
4920. 73850-15-4 1 0 0 1,4-Naphthalenedione, tetramethyl- IX.B-2
4921. 1 0 0 1,4-Naphthalenedione, trimethyl- IX.B-2
4922. 20490-42-0 1 1 1 1,4-Naphthalenedione, 2,3,6-trimethyl- IX.B-2
4923. 59832-90-5 1 0 0 1,4-Naphthalenedione, 2,6,7-trimethyl- IX.B-2
4924. 102977-87-7 0 1 0 2-Naphthaleneethanol, 3,4-dihydro-1,5,6-trimethyl- II.A-5
4925. 52617-99-9 0 1 0 1-Naphthalenemethanol, decahydro-2-hydroxy-
2,5,5,8a-tetramethyl-, [1S-(1α,2β,4aβ,8aα)]-
II.A-5
4926. 29484-46-6 0 1 0 2-Naphthalenemethanol, 1,2,3,4,4a,8a-hexahydro-
α,α,4a,8-tetramethyl-, [2S-(2α,4aβ,8aβ)]-
II.A-5
4927. 473-17-6 0 1 0 2-Naphthalenemethanol, 1,2,3,4,4a,8a-hexahydro-
α,α,4a,8-tetramethyl-, [2R-(2α,4aβ,8aβ)]-
II.A-5
183
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4928. 87797-89-5 0 1 0 2-Naphthalenemethanol, 1,2,3,4-tetrahydro-α,α,5,6-tetramethyl-, (R)-
II.A-5
4929. 5986-36-7 0 1 0 2-Naphthalenemethanol, 1,2,3,4-tetrahydro-α,α,5,8-tetramethyl-, (R)-
II.A-5
4930. 61263-48-7 0 1 0 2-Naphthalenemethanol, 1,2,3,4-tetrahydro-α,α,5,8-tetramethyl-, acetate, (R)-
II.A-5
4931. 87797-88-4 0 1 0 2-Naphthalenemethanol, 1,2,3,4-tetrahydro-α,α,7,8-tetramethyl-, (R)-
II.A-5
4932. 121269-01-0 0 1 0 2-Naphthalenemethanol, 3,4-dihydro-1,5,6-trimethyl-
II.A-5
4933. 10267-21-7 0 1 0 1-Naphthalenepentanol, decahydro-2-hydroxy-
γ,2,5,5,8a-pentamethyl-, [1R-[1α(S*),2β,4aβ,8aα]]
II.A-5
4934. 0 1 0 1-Naphthalene-2-pentenol, decahydro-γ,2,5,5,8a-pentamethyl-
II.A-5
4935. 0 1 0 1-Naphthalene-2-pentenol, 3,4,4a,5,6,7,8,8a-
octahydro-γ,2,5,5,8a-pentamethyl-
II.A-5
4936. 596-85-0 0 1 0 1-Naphthalenepropanol, α-ethenyldecahydro-
α,5,5,8a-tetramethyl-2-methylene-, [1S-
[1α(S*),4aβ,8aα]]- {manool}
OH
II.A-5
4937. 4630-08-4 0 1 0 1-Naphthalenepropanol, α-ethenyldecahydro-2-
hydroxy-α,2,5,5,8a-pentamethyl-, [1R-
[1α(S*),2β,4aβ,8aα]]- {episclareol}
II.A-5
4938. 515-03-7 0 1 0 1-Naphthalenepropanol, α-ethenyldecahydro-2-
hydroxy-α,2,5,5,8a-pentamethyl-, [1R-
[1α(R*),2β,4aβ,8aα]]- {sclareol}
II.A-5
4939. 57567-06-3 0 1 0 1-Naphthalenepropanol, α-ethenyldecahydro-7-
hydroxy-α,5,5,8a- tetramethyl-2-methylene-
II.A-5
4940. 121198-51-4 0 1 0 Naphthalenol, 6,8-dimethyl- IX.A-22
4941. 121198-52-5 0 1 0 Naphthalenol, 7,8-dimethyl- IX.A-22
4942. 90-15-3 1 0 0 1-Naphthalenol {1-naphthol = α-naphthol} OH
2
3
45
6
7
8
IX.A-0722
4943. 40529-54-2 1 0 0 1-Naphthalenol, dimethyl- IX.A-22
4944. 59534-35-9 1 0 0 1-Naphthalenol, methyl- IX.A-22
4945. 1 0 0 1-Naphthalenol, methyl-nitro- IX.A-22
4946. 7469-77-4 1 0 0 1-Naphthalenol, 2-methyl- IX.A-22
4947. 63-25-2 1 1 1 1-Naphthalenol, methylcarbamate {Sevin®; Carbaryl®}
OOC-NH-CH3
V-3, XXI-3
4948. 529-33-9 1 0 0 1-Naphthalenol, 1,2,3,4-tetrahydro- OH
II.A-5
4949. 55591-08-7 0 1 0 1-Naphthalenol, 1,2,3,4-tetrahydro-2,5,8-trimethyl- II.A-5
184
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4950. 30316-22-4 1 0 0 1-Naphthalenol, 1,2,3,4-tetrahydro-3,5,8-trimethyl- II.A-5
4951. 66324-66-1 0 1 0 1-Naphthalenol, 1,2,3,4-tetrahydro-4,5,8-trimethyl- II.A-5
4952. 67494-23-9 0 1 0 1-Naphthalenol, 1,2,3,4-tetrahydro-8-methyl-2-(1-
methylethenyl)-, (Z)-(±)
II.A-5
4953. 135-19-3 1 0 0 2-Naphthalenol {2-naphthol = β-naphthol} OH
IX.A-22, XXI-3
4954. 31149-06-1 0 1 0 2-Naphthalenol, 1-[5-(acetyloxy)-3-methyl-3-pentenyl]decahydro-2,5,5,8a-tetramethyl-, [1R-
[1α(E),2β,4aβ,8aα]]-
CH3H3C
CH3 CH3
OH
CH3
CH2O-COCH3
II.A-5, V-3
4955. 66890-73-1 0 1 0 2-Naphthalenol, decahydro-1-(3-hydroxy-3-methyl-1,4-pentadienyl)-2,5,5,8a-tetramethyl-, [1R-
[1α(1E,3S*),2β,4aβ,8aα]]-
OHH3C
CH3
OH
CH3H3C
CH2
CH3
II.A-5
4956. 66966-02-7 0 1 0 2-Naphthalenol, decahydro-1-(3-hydroxy-3-methyl-1,4-pentadienyl)-2,5,5,8a-tetramethyl-, [1R-
[1α(1E,3R*),2β,4aβ,8aα]]-
OHH3C
CH3
OH
CH3H3C
CH2
CH3
II.A-5
4957. 10267-31-9 0 1 0 2-Naphthalenol, decahydro-1-(5-hydroxy-3-methyl-3-pentenyl)-2,5,5,8a-tetramethyl-, [1R-
[1α(E),2β,4aβ,8aα]]-
CH3H3C
CH3 CH3
OH
CH3
CH2OH
II.A-5
4958. 22343-28-8 0 1 0 2-Naphthalenol, decahydro-1-(5-hydroxy-3-methyl-3-pentenyl)-2,5,5,8a-tetramethyl-, [1R-
(1α,2β,4aβ,8aα)]-
II.A-5
4959. 53163-43-2 0 1 0 2-Naphthalenol, decahydro-1,2,5,5,8a-pentamethyl-
, [1R-(1α,2β,4aβ,8aα)]-
II.A-5
4960. 36211-21-9 0 1 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl- CH3
OH
CH3H3C
CH3
12
345
6
78
8a
4a
II.A-5
4961. 49749-17-9 0 1 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-,
(2α,4aα,8aβ)-(±)-
II.A-5
4962. 42569-63-1 1 0 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-1,3-pentadienyl)-, [1R-
[1α(1E,3E),2β,4aβ,8aα]]-
II.A-5
185
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4963. 1616-86-0 0 1 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-
(3-methyl-2,4-pentadienyl)-, [1R-(1α,2β,4aβ,8aα)]-
{Z-abienol}
CH3
CH2
CH3H3C
CH3 CH3
OH
12
3
45
8
7
6
8a
II.A-5, XXI-3
4964. 17990-15-7 0 1 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-2,4-pentadienyl)-, [1R-
[1α(E),2β,4aβ,8aα]]-
CH3H3C
CH3 CH3
OH
12
3
45
8
7
6
8a
CH3
II.A-5
4965. 17990-16-8 0 1 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-2,4-pentadienyl)-, [1R-
[1α(Z),2β,4aβ,8aα]]-
II.A-5
4966. 62121-32-8 0 1 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-[(3-methyl-2-furanyl)methyl]-, [1R-
(1α,2β,4aβ,8aα)]-
CH3H3C
CH3
O
CH3CH3
OH
II.A-5
4967. 82451-46-5 0 1 0 2-Naphthalenol, decahydro-4a,8,8-trimethyl-3-methylene-4-(3-methyl-2,4-pentadienyl)-, [2S-
[2α,4α(E),4aα,8aβ]]-
II.A-5
4968. 82458-63-7 0 1 0 2-Naphthalenol, decahydro-4a,8,8-trimethyl-3-methylene-4-(3-methylene-4-pentenyl)-, [2S-
(2α,4α,4aα,8aβ)]-
II.A-5
4969. 58239-50-2 0 1 0 2-Naphthalenol, decahydro-5,5,8a-trimethyl-, [2R-
(2α,4aα,8aβ)]-
II.A-5
4970. 1 0 0 2-Naphthalenol, dimethyl- IX.A-22
4971. 54703-51-4 1 0 0 2-Naphthalenol, 1,8-dimethyl- IX.A-22
4972. 59534-36-0 1 0 0 2-Naphthalenol, methyl- IX.A-22
4973. 1076-26-2 1 0 0 2-Naphthalenol, 1-methyl- IX.A-22
4974. 71369-76-1 1 0 0 2-Naphthalenol, tetrahydro- IX.A-22
4975. 530-91-6 1 0 0 2-Naphthalenol, 1,2,3,4-tetrahydro- OH
II.A-5
4976. 1125-78-6 1 0 0 2-Naphthalenol, 5,6,7,8-tetrahydro- IX.A-22
4977. 1 0 0 2-Naphthalenol, 5,6,7,8-tetramethyl- IX.A-22
4978. 73850-18-7 1 0 0 2-Naphthalenol, trimethyl- IX.A-22
4979. 30889-50-0 1 0 0 2-Naphthalenol, 3,5,8-trimethyl- IX.A-22
4980. 17910-08-6 0 1 0 4a(2H)-Naphthalenol, 1,5,6,7,8,8a-hexahydro-4,7-
dimethyl-1-(1-methylethyl)-, [1S-(1α,4aβ,7α,8aα)]- OH
CH3
H3C
H3C CH3
12
344a
5
6
78
II.A-5
4981. 529-34-0 1 0 0 1(2H)-Naphthalenone, 3,4-dihydro- {1-tetralone} O
III-13
186
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
4982. 117210-52-3 0 1 0 1(2H)-Naphthalenone, 3,4-dihydro-5-methyl-3-(1-methylethenyl)-
III-13
4983. 1 0 0 1(2H)-Naphthalenone, 3,4-dihydro-4,5,6-trimethyl- III-13
4984. 27410-97-5 1 0 0 1(2H)-Naphthalenone, 3,4-dihydro-4,5,7-trimethyl- III-13
4985. 41720-93-8 0 1 0 1(2H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-3-hydroxy-4,4a-dimethyl-6-(1-methylethenyl)-, [3R-
(3α,4α,4aβ,6β)]-
III-13
4986. 52811-60-6 0 1 0 1(2H)-Naphthalenone, octahydro-2-hydroxy-2,5,5,8a-tetramethyl-
OOH
CH3
H3C CH3
H3C
II.A-5, III-13
4987. 55497-93-3 0 1 0 1(2H)-Naphthalenone, octahydro-2-hydroxy-
2,5,5,8a-tetramethyl-, [2R- (2α,4aα,8aβ)]-
II.A-5, III-13
4988. 25487-94-9 0 1 0 1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-2,5,5,8a-tetramethyl-, (4aS-trans)- CH3
CH3H3C
OH3C
III-13
4989. 57601-69-1 0 1 0 1(4H)-Naphthalenone, 2-hydroxy-4,4,7-trimethyl- III-13, IX.A-22
4990. 117472-47-6 0 1 0 1(4H)-Naphthalenone, 5,6,7,8-tetrahydro-8-methyl-5-(1-methylethenyl)-
III-13
4991. 29210-91-1 1 0 0 2(1H)-Naphthalenone, 3,4-dihydro-4,4,7-trimethyl- III-13
4992. 55733-01-2 0 1 0 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3,4,4a,8,8-pentamethyl-, (4aS-trans)-
III-13
4993. 76739-26-9 0 1 0 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3,4,4a,8,8-pentamethyl-
III-13
4994. 0 1 0 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3-hydroxy-3,4a,8,8-tetramethyl- {2 isomers reported}
II.A-5, III-13
4995. 51020-10-1 0 1 0 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl-, (4aR-trans)- {isonordimenone}
CH3
CH3H3C
H3C
O
III-13
4996. 72446-33-4 0 1 0 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl-4-(3-oxobutyl)-, (4aS-trans)-
III-13
4997. 14506-68-4 0 1 0 2(1H)-Naphthalenone, 1-(3-hydroxy-3-methyl-4-pentenyl)-octahydro-5,5,8a-trimethyl-, [1R-
[1α(R*),4aβ,8aα]]-
II.A-5, III-13
4998. 57567-07-4 0 1 0 2(1H)-Naphthalenone, 8-(3-hydroxy-3-methyl-4-pentenyl)-octahydro-4,4,8a- trimethyl-7-methylene-
II.A-5, III-13
4999. 473-08-5 1 1 1 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-
{bicyclo[4.4.0]dec-1-en-3-one, 2,6-dimethyl-9-isopropenyl-}
O
III-13
5000. 60026-22-4 1 0 0 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)- {6-epicyperone-1}
III-13
187
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5001. 55051-94-0 0 1 0 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-3-hydroxy-4-methyl-6-(1-methylethenyl)-, [3R-
(3α,4β,4aβ,6α)]-
O
HO
CH3 CH2
CH3
II.A-5, III-13
5002. 4674-50-4 0 1 0 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-
dimethyl-6-(1-methylethenyl)-, [4R-(4α,4aα,6β)]-{bicyclo[4.4.0]dec-1-en-3-one, 5,6-dimethyl-8-isopropenyl-} {nootkatone} O
CH3
CH3
CH3
CH2
III-13
5003. 102977-86-6 0 1 0 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-7-(1-methylethenyl)-
III-13
5004. 38044-00-7 0 1 0 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4-hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-
II.A-5, III-13
5005. 39815-74-2 0 1 0 2(3H)-Naphthalenone, 4,6,7,8-tetrahydro-4,4,7-trimethyl-
O
2
3
4 56
7
III-13
5006. 68420-60-0 0 1 0 2(4aH)-Naphthalenone, 5,6,7,8-tetrahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-
O
CH3
CH3
CH2
CH3
HO
II.A-5, III-13
5007. 38043-97-9 1 1 1 2(4aH)-Naphthalenone, 5,6,7,8-tetrahydro-4-hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-, (4aR-cis)-
{1-keto-α-cyperone} O
OHCH3
CH3
CH2
CH3
II.A-5, III-13
5008. 0 1 0 2(6H)-Naphthalenone, 3,4,7,8-tetrahydro-4,4,7-trimethyl-
O
2
3
4 56
7
III-13
5009. 1338-24-5 0 1 0 Naphthenic acids IV.A-3
5010. 192-65-4 1 0 0 Naphtho[1,2,3,4-def]chrysene {dibenzo[a,e]pyrene}
I.E-6
5011. 190-99-8 1 0 0 1H-Naphtho[3,2,1,8-defg]chrysene {1,2,5,6-dibenzopyrene}
I.E-6
5012. 11141-17-6 0 1 0 1H,7H-Naphtho[1,8a,8-bc:4,4a-c’]difuran-3,7a-dicarboxylic acid, (3S,3aR,4S, 5S,5aR, 5a
1R
7aS,8R,10S,10aS)-8-acetoxy-3,3a,4,5a,5a
1,7a,8,9,10-decahydro-3,5-dihydroxy-
4-{(1S,3S,7S,8R,9S,11R)-7-hydroxy-9-methyl-2,4,10-trioxatetracyclo[6.3.1.0
3,7.0
9,11]dodeca-5-en-
11-yl}-4-methyl-10[(E)-2-methylbut-2-enoyloxy]-, dimethyl ester
{Azadirachtin® A and B, Neem®}
XXI-3
5013. 1 0 0 Naphthofuran X-2
5014. 1 0 0 Naphthofuran, dimethyl- X-2
188
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5015. 1 0 0 Naphthofuran, methyl- X-2
5016. 234-03-7 1 0 0 Naphtho[1,2-b]furan X-2
5017. 71607-62-0 1 0 0 Naphtho[1,2-b]furan, dimethyl- X-2
5018. 25826-63-5 1 0 0 Naphtho[1,2-b]furan, 2-methyl- X-2
5019. 232-95-1 1 0 0 Naphtho[2,1-b]furan
O
X-2
5020. 65588-69-4
6790-58-5
0 1 0 Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-
tetramethyl-, [3aR-(3aα,5aβ,9aα,9bβ)]- {ambroxide; ambroxyl}
O
X-2
5021. 52811-62-8 0 1 0 Naphtho[2,1-b]furan-2-ol, dodecahydro-3a,6,6,9a-tetramethyl- {sclaral}
H3C CH3
CH3
CH3
O
OH
II.A-5, X-2
5022. 30450-17-0 0 1 0 Naphtho[2,1-b]furan-2(1H)-one, decahydro-
3a,6,6,9a-tetramethyl-, [3aS- (3aα,5aα,9aβ,9bα)]-
X-2
5023. 564-20-5 1 1 1 Naphtho[2,1-b]furan-2(1H)-one, decahydro-
3a,6,6,9a-tetramethyl-, [3aR-(3aα,5aβ,9aα,9bβ)]- {1,5,5,9-tetramethyl-13-oxatricyclo[8,3,0,0(4,9)]tridecane} {sclareolide}
O
O
CH3
CH3
H3C
CH3
VI-3
5024. 1 1 1 Naphtho[2,1-b]furan-2(1H)-one, decahydro-
3a,6,6,9a-tetramethyl-, [3aR-(3aα,5aβ,9aα,9bβ)]- {1,5,5,9-tetramethyl-13-oxatricyclo[8,3,0,0(4,9)]tridecane} , labeled with 14
C {sclareolide-14
C}
XXV-29
5025. 52811-59-3 0 1 0 Naphtho[2,1-b]furan-2(3aH)-one, 4,5,5a,6,7,8,9,9a-octahydro-3a,6,6,9a-tetramethyl-, [3aR-
(3aα,5aβ,9aα)]-
H3C CH3
CH3
O
OCH3
VI-3
5026. 56682-25-8 0 1 0 Naphtho[2,1-b]furan-2-methanol, α-
ethenyldodecahydro-α,3a,6,6,9a-pentamethyl-,
[2R-[2α(R*),3aβ,5aα,9aβ,9bα]]-
CH3H3C
CH3
H2C
OH
CH3
O
CH3
II.A-5, X-2
5027. 56711-38-7 0 1 0 Naphtho[2,1-b]furan-2-methanol, α-
ethenyldodecahydro-α,3a,6,6,9a-pentamethyl-,
[2R-[2α(S*),3aβ,5aα,9aβ,9bα]]-
CH3H3C
CH3
H2C
OH
CH3
O
CH3
II.A-5, X-2
189
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5028. 56711-39-8 0 1 0 Naphtho[2,1-b]furan-2-methanol, α-
ethenyldodecahydro-α,3a,6,6,9a-pentamethyl-,
[2S-[2α(S*),3aα,5aβ,9aα,9bβ]]-
CH3H3C
CH3
H2C
OH
CH3
O
CH3
II.A-5, X-2
5029. 56711-40-1 0 1 0 Naphtho[2,1-b]furan-2-methanol, α-
ethenyldodecahydro-α,3a,6,6,9a-pentamethyl-,
[2S-[2α(R*),3aα,5aβ,9aα,9bβ]]-
CH3H3C
CH3
H2C
OH
CH3
O
CH3
II.A-5, X-2
5030. 196-42-9 1 0 0 Naphtho[2,1,8-qra]naphthacene
I.E-6
5031. 52811-58-2 0 1 0 3H-Naphtho[2,1-b]pyran-3-one, 4a,5,6,6a,7,8,9,10,10a,10b-decahydro-4a,7,7,10a-
tetramethyl-, [4aR-(4aα,6aβ,10aα,10bβ)]- {dehydroambreinolide}
CH3
CH3
H3C
CH3
O
O
VI-3
5032. 468-84-8 0 1 0 3H-Naphtho[2,1-b]pyran-3-one, dodecahydro-4a,7,7,10a-tetramethyl-, [4aR-
(4aα,6aβ,10aα,10bβ)]- {ambreinolide}
VI-3
5033. 5153-92-4 0 1 0 1H-Naphtho[2,1-b]pyran, 4a,5,6,6a,7,8,9,10,10a,10b-decahydro-3,4a,7,7,10a-pentamethyl-, [4aR-
(4aα,6aβ,10aα,10bβ)]-
X-2
5034. 6252-26-2 0 1 0 1H-Naphtho[2,1-b]pyran, dodecahydro-3,4a,7,7,10a-pentamethyl-
X-2
5035. 596-84-9 0 1 0 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3R-
(3α,4aβ,6aα,10aβ,10bα)]-
X-2
5036. 59170-14-8 1 1 1 1H-Naphtho[2,1-b]pyran-2-ol, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-,
[2S-(2α,3β,4aβ,6aα,10aβ,10bα)]-
{labd-14-ene, 8,13-epoxy-12α-hydroxy-}
{12α-hydroxy-13-epimanoyl oxide} CH3H3C
CH3
CH3
OHCH3
CH2
O
II.A-5, X-2
5037. 64681-69-2 0 1 0 1H-Naphtho[2,1-b]pyran-2-ol, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-,
[2R-(2α,3α,4aα,6aβ,10aα,10bβ)]-
CH3H3C
CH3
CH3
OHCH3
CH2
O
II.A-5, X-2
190
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5038. 64681-70-5 0 1 0 1H-Naphtho[2,1-b]pyran-2-ol, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-,
[2S-(2α,3α,4aβ,6aα,10aβ,10bα)]-
CH3H3C
CH3
CH3
OHCH3
CH2
O
II.A-5, X-2
5039. 67528-84-1 0 1 0 1H-Naphtho[2,1-b]pyran-2-ol, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-,
[2R-(2α,3β,4aα,6aβ,10aα,10bβ)]-
CH3H3C
CH3
CH3
OHCH3
CH2
O
II.A-5, X-2
5040. 37551-73-8 0 1 0 1H-Naphtho[2,1-b]pyran-2(3H)-one, 3-ethenyldecahydro-3,4a,7,7,10a-pentamethyl-, [3S-
(3α,4aβ,6aα,10aβ,10bα)]-
CH3H3C
CH3
CH3
CH3
CH2
O
O
III-13, X-2
5041. 37551-74-9 0 1 0 1H-Naphtho[2,1-b]pyran-2(3H)-one, 3-ethenyldecahydro-3,4a,7,7,10a-pentamethyl-, [3R-
(3α,4aα,6aβ,10aα,10bβ)]-
CH3H3C
CH3
CH3
CH3
CH2
O
O
III-13, X-2
5042. 68985-12-6 0 1 0 1H-Naphtho[2,1-b]pyran-2(3H)-one, 3-ethenyldecahydro-3,4a,7,7,10a-pentamethyl-
III-13
5043. 313-80-4 1 0 0 Naphtho[2,1,8-def]quinoline {1-azapyrene}
XVII.E-6
5044. 1 0 0 Naphtho[2,1,8-def]quinoline, dimethyl- XVII.E-6
5045. 1 0 0 Naphtho[2,1,8-def]quinoline, methyl- XVII.E-6
5046. 1 0 0 Naphtho[2,1,8-def]quinoline, trimethyl- XVII.E-6
5047. 215-26-9 1 0 0 Naphtho[1,2-b]triphenylene
{tribenz[a,c,h]anthracene}
I.E-6
5048. 191-37-7 1 0 0 Naphtho[2,1,8,7-klmn]xanthene
O
1
2
3
4
5
6
7
8
9
10
11
X-2
5049. 1 0 0 Naphthyridine XVII.E-6
5050. 1 0 0 Naphthyridine, C2-alkyl- XVII.E-6
5051. 1 0 0 Naphthyridine, 3-butyryl- XVII.E-6
5052. 1 0 0 Naphthyridine, 3-methyl- XVII.E-6
191
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5053. 254-79-5 1 0 0 1,5-Naphthyridine
{1,5-diazanaphthalene; pyrido[3,2-b]pyridine}
XVII.E-6
5054. 18937-71-8 1 0 0 1,5-Naphthyridine, 3-methyl- XVII.E-6
5055. 253-72-5 1 0 0 1,6-Naphthyridine
{1,6-diazanaphthalene; pyrido[4,3-b]pyridine}
XVII.E-6
5056. 14757-43-8 1 0 0 1,6-Naphthyridine, 3-methyl- XVII.E-6
5057. 253-69-0 1 0 0 1,7-Naphthyridine
{1,7-diazanaphthalene; pyrido[3,4-b]pyridine}
XVII.E-6
5058. 254-60-4 1 0 0 1,8-Naphthyridine
{1,8-diazanaphthalene; pyrido[2,3-b]pyridine}
XVII.E-6
5059. 14757-45-0 1 0 0 1,8-Naphthyridine, 2,6-dimethyl- XVII.E-6
5060. 14759-22-9 1 0 0 1,8-Naphthyridine, 3-methyl- XVII.E-6
5061. 40000-89-3 1 0 0 1,8-Naphthyridin-2(1H)-one, 3-methyl- XVII.E-6
5062. 8002-65-1 0 1 0 Neem oil XXI-3
5063. 7440-00-8 1 1 1 Neodymium Ne XX-5
5064. 7440-02-0 1 1 1 Nickel Ni XX-5
5065. 12612-55-4 1 0 0 Nickel carbonyl Ni(CO)4 XX-6
5066. 7440-03-1 1 0 0 Niobium Nb XX-5
5067. 14797-55-8 1 1 1 Nitrate NO3-
XX-6
5068. 125239-87-4 1 0 0 Nitrate, peroxy- XX-6
5069. 7697-37-2 1 1 1 Nitric acid HO-NO2 XX-6
5070. 7757-79-1 0 1 0 Nitric acid, potassium salt KO-NO2 XX-6
5071. 98-58-3 1 0 0 Nitric acid, methyl ester H3C-O-NO2 V-3
5072. 7631-99-4 0 1 0 Nitric acid, sodium salt NaO-NO2 XX-6
5073. 14797-65-0 1 1 1 Nitrite O=N-O-1 XX-6
5074. 19059-14-4 1 0 0 Nitrite, peroxy- XX-6
5075. 1 0 0 Nitrite radical O-N=O XXVII-1
5076. 7727-37-9 1 1 1 Nitrogen N2 XX-5
5077. 11104-93-1 1 0 0 Nitrogen oxide XIX-5
5078. 10024-97-2 1 1 1 Nitrogen oxide {nitrous oxide} N2O XIX-5
5079. 10102-43-9 1 1 1 Nitrogen oxide {nitric oxide} NO XXVII-1
5080. 10102-44-0 1 0 0 Nitrogen oxide {nitrogen dioxide} NO2 XIX-5
5081. 1 1 1 Nitrogen oxides N2O + NO + NO2 XIX-5
5082. 35576-91-1 1 0 0 Nitrosamide H2N-N=O XIII-1
5083. 1 1 1 N-Nitrosamines {GENERAL DISCUSSION} XV
5084. 7782-77-6 1 0 0 Nitrous acid HO-N=O XX-6
5085. 109-95-5 1 0 0 Nitrous acid, ethyl ester H3C-CH2-ON=O V-3
192
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5086. 624-91-9 1 1 1 Nitrous acid, methyl ester H3C-ON=O V-3
5087. 630-03-5 1 1 1 Nonacosane H3C-(CH2)27-CH3 I.A-10
5088. 1560-75-4 1 1 1 Nonacosane, 2-methyl- (H3C)2=CH-(CH2)26-CH3 I.A-10
5089. 14167-67-0 1 1 1 Nonacosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)25-CH3 I.A-10
5090. 4250-38-8 1 0 0 Nonacosanoic acid H3C-(CH2)27-COOH IV.A-3
5091. 121878-05-5 1 1 1 Nonacosanoic acid, docosyl ester H3C-(CH2)27-COO-(CH2)21-CH3 V-3
5092. 121877-94-9 1 1 1 Nonacosanoic acid, eicosyl ester H3C-(CH2)27-COO-(CH2)19-CH3 V-3
5093. 39815-65-1 0 1 0 Nonacosanoic acid, 4-(2-hydroxyethyl)phenyl ester V-3
5094. 0 1 0 1-Nonacosanol H3C-(CH2)27-CH2OH II.A-5
5095. 1 0 0 1-Nonacosene H2C=CH-(CH2)26-CH3 I.B-1
5096. 1 0 0 1-Nonacosene, 2-methyl- H2C=C(CH3)-(CH2)26-CH3 I.B-1
5097. 1 0 0 2-Nonacoscene, (Z)- H3C-CH=CH-(CH2)25-CH3 I.B-1
5098. 1 0 0 2-Nonacoscene, (E)- I.B-1
5099. 1 0 0 2-Nonacosene, 2-methyl- H3C-C(CH3)=CH-(CH2)25-CH3 I.B-1
5100. 1 0 0 2-Nonacosene, 27-methyl-, (Z)- H3C-CH=CH-(CH2)23-CH(CH3)-CH2-CH3
I.B-1
5101. 1 0 0 2-Nonacosene, 27-methyl-, (E)- I.B-1
5102. 1 0 0 2-Nonacosene, 28-methyl-, (Z)- H3C-CH=CH-(CH2)24-CH(CH3)2 I.B-1
5103. 1 0 0 2-Nonacosene, 28-methyl-, (E)- I.B-1
5104. 629-92-5 1 1 1 Nonadecane H3C-(CH2)17-CH3 I.A-10
5105. 1 0 0 Nonadecane, methyl- I.A-10
5106. 0 1 0 Nonadecane, 3-methyl- H3C-(CH2)15-CH(CH3)-CH2-CH3 I.A-10
5107. 646-30-0 1 1 1 Nonadecanoic acid H3C-(CH2)17-COOH IV.A-3
5108. 42232-76-8 1 1 1 Nonadecanoic acid, docosyl ester H3C-(CH2)17-COO-(CH2)21-CH3 V-3
5109. 42232-66-6 1 1 1 Nonadecanoic acid, dodecyl ester H3C-(CH2)17-COO-(CH2)11-CH3 V-3
5110. 36610-54-5 1 1 1 Nonadecanoic acid, eicosyl ester H3C-(CH2)17-COO-(CH2)19-CH3 V-3
5111. 42232-75-7 1 1 1 Nonadecanoic acid, heneicosyl ester H3C-(CH2)17-COO-(CH2)20-CH3 V-3
5112. 1 1 1 Nonadecanoic acid, heptacosyl ester H3C-(CH2)17-COO-(CH2)26-CH3 V-3
5113. 36610-51-2 1 1 1 Nonadecanoic acid, heptadecyl ester H3C-(CH2)17-COO-(CH2)16-CH3 V-3
5114. 1 1 1 Nonadecanoic acid, hexacosyl ester H3C-(CH2)17-COO-(CH2)25-CH3 V-3
5115. 36610-50-1 1 1 1 Nonadecanoic acid, hexadecyl ester H3C-(CH2)17-COO-(CH2)15-CH3 V-3
5116. 1731-94-8 0 1 0 Nonadecanoic acid, methyl ester H3C-(CH2)17-COO-CH3 V-3
5117. 36610-53-4 1 1 1 Nonadecanoic acid, nonadecyl ester H3C-(CH2)17-COO-(CH2)18-CH3 V-3
5118. 36610-52-3 1 1 1 Nonadecanoic acid, octadecyl ester H3C-(CH2)17-COO-(CH2)17-CH3 V-3
5119. 1 1 1 Nonadecanoic acid, pentacosyl ester H3C-(CH2)17-COO-(CH2)24-CH3 V-3
5120. 36610-49-8 1 1 1 Nonadecanoic acid, pentadecyl ester H3C-(CH2)17-COO-(CH2)14-CH3 V-3
5121. 121877-66-5 1 1 1 Nonadecanoic acid, tetracosyl ester H3C-(CH2)17-COO-(CH2)23-CH3 V-3
5122. 36610-48-7 1 1 1 Nonadecanoic acid, tetradecyl ester H3C-(CH2)17-COO-(CH2)13-CH3 V-3
5123. 42232-77-9 1 1 1 Nonadecanoic acid, tricosyl ester H3C-(CH2)17-COO-(CH2)22-CH3 V-3
5124. 36610-47-6 1 1 1 Nonadecanoic acid, tridecyl ester H3C-(CH2)17-COO-(CH2)12-CH3 V-3
5125. 53254-53-8 1 1 1 Nonadecanoic acid, 17-methyl- H3C-CH2-CH(CH3)-(CH2)15-COOH IV.A-3
193
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5126. 121877-54-1 1 1 1 Nonadecanoic acid, 17-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)15-COO-(CH2)20-CH3
V-3
5127. 121877-69-8 1 1 1 Nonadecanoic acid, 17-methyl-, tetracosyl ester H3C-CH2-CH(CH3)-(CH2)15-COO-(CH2)23-CH3
V-3
5128. 121877-59-6 1 1 1 Nonadecanoic acid, 17-methyl-, tricosyl ester H3C-CH2-CH(CH3)-(CH2)15-COO-(CH2)22-CH3
V-3
5129. 6250-72-2 1 1 1 Nonadecanoic acid, 18-methyl- (H3C)2=CH-(CH2)16-COOH IV.A-3
5130. 145090-31-9 0 1 0 Nonadecanoic acid, 18-methyl-, 2-(acetyloxy)-1-(hydroxymethyl)ethyl ester
V-3
5131. 1 1 1 Nonadecanoic acid, 18-methyl-, eicosyl ester (H3C)2=CH-(CH2)16-COO-(CH2)19-CH3
V-3
5132. 150643-41-7 0 1 0 Nonadecanoic acid, 18-methyl-, ester with 1,2,3-propanetriol monoacetate mono(16-methylheptadecanoate)
V-3
5133. 121877-51-8 1 1 1 Nonadecanoic acid, 18-methyl-, heneicosyl ester (H3C)2=CH-(CH2)16-COO-(CH2)20-CH3
V-3
5134. 121877-37-0 1 1 1 Nonadecanoic acid, 18-methyl-, nonadecyl ester (H3C)2=CH-(CH2)16-COO-(CH2)18-CH3
V-3
5135. 71607-90-4 1 0 0 Nonadecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-
V-3
5136. 52783-43-4 1 0 0 Nonadecanol II.A-5
5137. 1 1 1 1-Nonadecanol H3C-(CH2)17-CH2OH II.A-5
5138. 6809-52-5 1 1 1 5,9,13,17-Nonadecatetraen-2-one, 6,10,14,18-tetramethyl-
III-13
5139. 27400-77-7 1 0 0 Nonadecene H-(CH2)n-CH=CH-(CH2)(17-n)-H I.B-1
5140. 18435-45-5 1 1 1 1-Nonadecene H2C=CH-(CH2)16-CH3 I.B-1
5141. 1 0 0 1-Nonadecene, 2-methyl- H2C=C(CH3)-(CH2)16-CH3 I.B-1
5142. 1 0 0 2-Nonadecene, (Z)- H3C-CH=CH-(CH2)15-CH3 I.B-1
5143. 1 0 0 2-Nonadecene, (E)- I.B-1
5144. 1 0 0 2-Nonadecene, 2-methyl- H3C-C(CH3)=CH-(CH2)15-CH3 I.B-1
5145. 1 0 0 2-Nonadecene, 17-methyl-, (Z)- H3C-CH=CH-(CH2)13-CH(CH3)-CH2-CH3
I.B-1
5146. 1 0 0 2-Nonadecene, 17-methyl-, (E)- I.B-1
5147. 1 0 0 2-Nonadecene, 18-methyl-, (Z)- H3C-CH=CH-(CH2)14-CH(CH3)2 I.B-1
5148. 1 0 0 2-Nonadecene, 18-methyl-, (E)- I.B-1
5149. 6750-03-4
5910-87-2
1 1 1 2,4-Nonadienal, (E,E)- III-12
5150. 0 1 0 2,4-Nonadienal, 6-methyl- III-12
5151. 0 1 0 2,4-Nonadienal, 8-methyl- III-12
5152. 26370-28-5 0 1 0 2,6-Nonadienal {leaf aldehyde violet} III-12
5153. 557-48-2 0 1 0 2,6-Nonadienal, (E,Z)- III-12
5154. 129777-21-5 0 1 0 2,6-Nonadienal, 2-methyl-5-(1-methylethyl)-8-oxo-, (E,E)-(+)-
III-12, III-13
5155. 71030-52-9 0 1 0 Nonadiene I.B-1
5156. 0 1 0 Nonadienoic acid IV.A-3
194
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5157. 0 1 0 2,4-Nonadienoic acid, 2,3-dimethyl- IV.A-3
5158. 60026-10-0 0 1 0 2,6-Nonadienoic acid IV.A-3
5159. 23605-13-2 0 1 0 2,6-Nonadienoic acid, (E,Z)- IV.A-3
5160. 70898-29-2 0 1 0 2,7-Nonadienoic acid, (E,Z)- IV.A-3
5161. 0 1 0 4,6-Nonadienoic acid IV.A-3
5162. 7786-44-9 0 1 0 2,6-Nonadien-1-ol II.A-5
5163. 28069-72-9 0 1 0 2,6-Nonadien-1-ol, (E,Z)- II.A-5
5164. 56805-23-3 0 1 0 3,6-Nonadien-1-ol II.A-5
5165. 53046-97-2 0 1 0 3,6-Nonadien-1-ol, (Z,Z)- II.A-5
5166. 38713-12-1 0 1 0 3,7-Nonadien-1-ol, 4,8-dimethyl- {homogeraniol} II.A-5
5167. 459-88-1 0 1 0 3,7-Nonadien-1-ol, 4,8-dimethyl-, (E)- II.A-5
5168. 150405-75-7 0 1 0 6,8-Nonadien-2-ol, 8-methyl-5-(3-methylbutyl)- II.A-5
5169. 40525-38-0
64130-24-1
1 1 1 6,8-Nonadien-2-ol, 8-methyl-5-(1-methylethyl)- {solanol}
{solanol isomer}
II.A-5
5170. 0 1 0 3,7-Nonadien-2-one, 4,8-dimethyl- III-13
5171. 0 1 0 3,8-Nonadien-2-one, 4,8-dimethyl- III-13
5172. 123695-65-8 1 0 0 5,7-Nonadien-2-one, 8-hydroxy-5-(1-methylethyl)-, (E,Z)-
III-13
5173. 1 1 1 5,7-Nonadien-2-one, 8-methyl-5-(1-methylethyl)- {isosolanone}
III-13
5174. 60714-16-1 0 1 0 6,8-Nonadien-2-one, 6-methyl-5-(1-methylethenyl)- III-13
5175. 2278-53-7 0 1 0 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, [R-(E)]-
III-13
5176. 1937-54-8 1 1 1 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, [S-(E)]- {solanone}
O
III-13
5177. 54868-48-3 0 1 0 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (E)-
III-13
5178. 124-19-6 1 1 1 Nonanal {pelargonaldehyde} H3C-(CH2)7-CH=O III-12
5179. 111-84-2 1 1 1 Nonane H3C-(CH2)7-CH3 I.A-10
5180. 1 0 0 Nonane, 4-acetyl-2,6,8-trimethyl- III-13
5181. 871-83-0 1 0 0 Nonane, 2-methyl- I.A-10
5182. 51655-64-2 1 0 0 Nonane, 3-methylene- I.B-1
5183. 123-99-9 1 1 1 Nonanedioic acid {azelaic acid} HOOC-(CH2)7-COOH IV.A-3
5184. 3937-56-2 0 1 0 1,9-Nonanediol HOCH2-(CH2)7-CH2OH II.A-5
5185. 55023-56-8 1 1 1 2,8-Nonanediol, 5-(1-methylethyl)- II.A-5
5186. 0 1 0 2,5-Nonanedione III-13
5187. 0 1 0 2,7-Nonanedione, 8-hydroxy-8-methyl-5-(1-methylethyl)-
II.A-5, III-13
195
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5188. 55023-57-9 1 1 1 2,8-Nonanedione, 5-(1-methylethyl)- {norsolanadione}
O
O
III-13
5189. 38284-28-5 0 1 0 2,5,8-Nonanetrione III-13
5190. 112-05-0 1 1 1 Nonanoic acid {pelargonic acid} H3C-(CH2)7-COOH IV.A-3
5191. 123-29-5 0 1 0 Nonanoic acid, ethyl ester H3C-(CH2)7-COO-C2H5 V-3
5192. 1731-84-6 0 1 0 Nonanoic acid, methyl ester H3C-(CH2)7-COO-CH3 V-3
5193. 41653-89-8 0 1 0 Nonanoic acid, 7-methyl- IV.A-3
5194. 6064-52-4 0 1 0 Nonanoic acid, 4-oxo- III-13, IV.A-3
5195. 143-08-8 1 1 1 1-Nonanol H3C-(CH2)7-CH2OH II.A-5
5196. 1 0 0 4-Nonanol, 2,6,8-trimethyl- II.A-5
5197. 821-55-6 1 1 1 2-Nonanone H3C-(CH2)6-CO-CH3 III-13
5198. 58002-07-6 0 1 0 2-Nonanone, 6,7-epoxy-8-hydroxy-5-(1-methylethyl)-
III-13
5199. 55023-54-6 0 1 0 2-Nonanone, 8-hydroxy-5-(1-methylethyl)- III-13
5200. 1 0 0 4-Nonanone, 2,6,8-trimethyl III-13
5201. 0 1 0 5-Nonanone, 2,8-dimethyl-7,8-epoxy- III-13
5202. 68-26-8 0 1 0 2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)- {retinol}
II.A-5
5203. 1 1 1 Nonatriacontane H3C-(CH2)37-CH3 I.A-10
5204. 0 1 0 3,5,7-Nonatrien-2-one III-13
5205. 2463-53-8 1 1 1 2-Nonenal H3C-(CH2)5-CH=CH-CH=O III-12
5206. 18829-56-6 0 1 0 2-Nonenal, (E)- III-12
5207. 0 1 0 2-Nonenal, 2,3-dimethyl-8-oxo- III-12, III-13
5208. 2277-19-2 0 1 0 6-Nonenal, (Z)- III-12
5209. 1 0 0 1-Nonene H3C-(CH2)6-CH=CH2 I.B-1
5210. 1 0 0 2-Nonene, 3-methyl- I.B-1
5211. 53966-53-3 1 0 0 3-Nonene, 2-methyl- H3C-(CH2)4-CH=CH-CH=(CH3)2 I.B-1
5212. 55023-53-5 1 1 1 3-Nonene-2,8-diol, 5-(1-methylethyl)- II.A-5
5213. 38372-56-4 1 1 1 3-Nonene-2,8-dione {norsolanadione} III-13
5214. 60619-46-7
35953-21-0
1 1 1 3-Nonene-2,8-dione, 5-(1-methylethyl)-, [S-(E)]- {oxysolanone}
III-13
5215. 37822-76-7 0 1 0 Nonenoic acid, methyl ester V-3
5216. 3760-11-0 0 1 0 2-Nonenoic acid H3C-(CH2)5-CH=CH-COOH IV.A-3
5217. 14812-03-4 0 1 0 2-Nonenoic acid, (E)- IV.A-3
5218. 4124-88-3 0 1 0 3-Nonenoic acid IV.A-3
5219. 41653-98-9 0 1 0 3-Nonenoic acid, (Z)- IV.A-3
5220. 41653-99-0 0 1 0 6-Nonenoic acid, (Z)- IV.A-3
5221. 31642-67-8 0 1 0 8-Nonenoic acid IV.A-3
5222. 31502-14-4 0 1 0 2-Nonen-1-ol H3C-(CH2)5-CH=CH-CH2OH II.A-5
5223. 10340-23-5 0 1 0 3-Nonen-1-ol, (Z)- II.A-5
196
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5224. 68985-18-2 0 1 0 2-Nonen-4-one, 3-methyl-, (E)- III-13
5225. 65017-85-8 0 1 0 2-Nonen-4-one, 8-hydroxy-3-methyl-, (E)- II.A-5, III-13
5226. 0 1 0 5-Nonen-2-one, 8-hydroxy-8-methyl-5-(1-methylethyl)-
II.A-5, III-13
5227. 55023-59-1 0 1 0 6-Nonen-2-one, 8-hydroxy-8-methyl-5-(1-methylethyl)-
II.A-5, III-13
5228. 57934-86-8 0 1 0 6-Nonen-2-one, 8-hydroxy-8-methyl-5-(1-methylethyl)-, (E)-(±)-
II.A-5, III-13
5229. 55023-52-4 0 1 0 6-Nonen-2-one, 8-hydroxy-5-(1-methylethyl)- II.A-5, III-13
5230. 77288-95-0 0 1 0 6-Nonen-2-one, 8,9-dihydroxy-8-methyl-5-(1-methylethyl)-, [R-[R*,S*-(E)]]-
II.A-5, III-13
5231. 77288-96-1 0 1 0 6-Nonen-2-one, 8,9-dihydroxy-8-methyl-5-(1-methylethyl)-, [S-[R*,R*-(E)]]-
II.A-5, III-13
5232. 3452-09-3 1 0 0 1-Nonyne HC≡C-(CH2)6-CH3 I.B-1
5233. 18444-66-1 0 1 0 19-Norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-,
(9β,10α,16α,23E)-
II.A-5, III-13, V-3
5234. 17278-28-3 0 1 0 19-Norlanosta-5,23-diene-2,11,22-trione, 25-(acetyloxy)-3,16,20-trihydroxy-9-methyl-,
(3α,9β,10α,16α,23E)-
II.A-5, III-13, V-3
5235. 89647-62-1 0 1 0 19-Norlanosta-5,23-diene-2,11,22-trione, 25-(acetyloxy)-3,16,20-trihydroxy-9-methyl-,
(3β,9β,10α,16α,23E)-
II.A-5, III-13, V-3
5236. 5157-09-5 0 1 0 Norleucine {2-aminohexanoic acid} H3C-(CH2)3-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
5237. 9026-81-7 0 1 0 Nuclease XXII-2
5238. 9003-98-9 0 1 0 Nuclease, deoxyribo- XXII-2
5239. 9055-11-2 0 1 0 Nuclease, endo- XXII-2
5240. 59977-50-3 0 1 0 Nuclease, mammalian deoxyribonucleate-nicking endo-
XXII-2
5241. 9001-99-4 0 1 0 Nuclease, ribo- XXII-2
5242. 9025-44-9 0 1 0 Nucleosidase XXII-2
5243. 9033-33-4 0 1 0 Nucleotidase XXII-2
5244. 9012-90-2 0 1 0 Nucleotidyltransferase, deoxyribonucleate XXII-2
5245. 9068-38-6 0 1 0 Nucleotidyltransferase, deoxyribonucleate, RNA-dependent
XXII-2
5246. 9014-12-4 0 1 0 Nucleotidyltransferase, polyribonucleotide XXII-2
5247. 9014-24-8 0 1 0 Nucleotidyltransferase, ribonucleate XXII-2
5248. 9026-28-2 0 1 0 Nucleotidyltransferase, ribonucleate, RNA-dependent
XXII-2
5249. 66328-00-5 1 0 0 2,6,10,14,18,22,26-Octacosaheptaene, 2,6,10,14,18,22,26-heptamethyl-, (all-E)-
I.B-1
5250. 630-02-4 1 1 1 Octacosane H3C-(CH2)26-CH3 I.A-10
5251. 1560-98-1 1 1 1 Octacosane, 2-methyl- (H3C)2=CH-(CH2)25-CH3 I.A-10
5252. 65820-58-8 1 1 1 Octacosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)24-CH3 I.A-10
5253. 506-48-9 1 1 1 Octacosanoic acid H3C-(CH2)26-COOH IV.A-3
5254. 121878-02-2 1 1 1 Octacosanoic acid, docosyl ester H3C-(CH2)26-COO-(CH2)21-CH3 V-3
197
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5255. 1 1 1 Octacosanoic acid, dodecyl ester H3C-(CH2)26-COO-(CH2)11-CH3 V-3
5256. 121877-91-6 1 1 1 Octacosanoic acid, eicosyl ester H3C-(CH2)26-COO-(CH2)19-CH3 V-3
5257. 1 1 1 Octacosanoic acid, ester with olean-12-en-3-ol,
(3β)- {β-amyrenyl octacosanoate)
V-3
5258. 121877-95-0 1 1 1 Octacosanoic acid, heneicosyl ester H3C-(CH2)26-COO-(CH2)20-CH3 V-3
5259. 1 1 1 Octacosanoic acid, heptacosyl ester H3C-(CH2)26-COO-(CH2)26-CH3 V-3
5260. 1 1 1 Octacosanoic acid, heptadecyl ester H3C-(CH2)26-COO-(CH2)16-CH3 V-3
5261. 1 1 1 Octacosanoic acid, hexacosyl ester H3C-(CH2)26-COO-(CH2)25-CH3 V-3
5262. 80756-16-7 1 1 1 Octacosanoic acid, hexadecyl ester H3C-(CH2)26-COO-(CH2)15-CH3 V-3
5263. 1 1 1 Octacosanoic acid, nonadecyl ester H3C-(CH2)26-COO-(CH2)18-CH3 V-3
5264. 95415-29-5 1 1 1 Octacosanoic acid, octadecyl ester H3C-(CH2)26-COO-(CH2)17-CH3 V-3
5265. 1 1 1 Octacosanoic acid, pentacosyl ester H3C-(CH2)26-COO-(CH2)24-CH3 V-3
5266. 1 1 1 Octacosanoic acid, pentadecyl ester H3C-(CH2)26-COO-(CH2)14-CH3 V-3
5267. 80252-40-0 1 1 1 Octacosanoic acid, tetracosyl ester H3C-(CH2)26-COO-(CH2)23-CH3 V-3
5268. 28570-28-7 1 1 1 Octacosanoic acid, tetradecyl ester H3C-(CH2)26-COO-(CH2)13-CH3 V-3
5269. 1 1 1 Octacosanoic acid, tricosyl ester H3C-(CH2)26-COO-(CH2)22-CH3 V-3
5270. 1 1 1 Octacosanoic acid, tridecyl ester H3C-(CH2)26-COO-(CH2)12-CH3 V-3
5271. 121878-04-4 1 1 1 Octacosanoic acid, 26-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)24-COO-(CH2)21-CH3
V-3
5272. 557-61-9 1 1 1 1-Octacosanol {montanyl alcohol} H3C-(CH2)26-CH2OH II.A-5
5273. 0 1 0 1-Octacosanol, 26-methyl- II.A-5
5274. 0 1 0 1-Octacosanol, 27-methyl- II.A-5
5275. 18835-34-2 1 0 0 1-Octacosene H3C-(CH2)25-CH=CH2 I.B-1
5276. 1 0 0 1-Octacosene, 2-methyl- H2C=C(CH3)-(CH2)25-CH3 I.B-1
5277. 1 0 0 2-Octacosene, (Z)- H3C-CH=CH-(CH2)24-CH3 I.B-1
5278. 1 0 0 2-Octacosene, (E)- I.B-1
5279. 1 0 0 2-Octacosene, 2-methyl- H3C-C(CH3)=CH-(CH2)24-CH3 I.B-1
5280. 1 0 0 2-Octacosene, 26-methyl-, (Z)- H3C-CH=CH-(CH2)23-CH(CH3)-CH2-CH3
I.B-1
5281. 1 0 0 2-Octacosene, 26-methyl-, (E)- I.B-1
5282. 1 0 0 2-Octacosene, 27-methyl-, (Z)- H3C-CH=CH-(CH2)23-CH(CH3)2 I.B-1
5283. 1 0 0 2-Octacosene, 27-methyl-, (E)- I.B-1
5284. 26764-25-0 1 0 0 Octadecadienoic acid IV.A-3
5285. 28984-77-2 0 1 0 Octadecadienoic acid, (Z,Z)- IV.A-3
5286. 97145-16-9 0 1 0 Octadecadienoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (all-Z)-
V-3
5287. 97190-11-9 0 1 0 Octadecadienoic acid, ester with 1,2,3-propanetriol 1-(2-aminoethyl hydrogen phosphate) hexadecanoate
V-3
5288. 97190-13-1 0 1 0 Octadecadienoic acid, ester with 1,2,3-propanetriol 1-(2-aminoethyl hydrogen phosphate) octadecanoate, (Z,Z)-
V-3
5289. 28061-47-4 0 1 0 Octadecadienoic acid, methyl ester V-3
198
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5290. 97210-24-7 0 1 0 Octadecadienoic acid, monoester with 1,2,3-propanetriol 1,1'-(hydrogen phosphate) mono-3-hexadecenoate, [R-[R*,S*-(E)]]-
V-3
5291. 60-33-3 1 1 1 9,12-Octadecadienoic acid, (Z,Z)- {linoleic acid} IV.A-3
5292. 506-21-8 1 1 1 9,12-Octadecadienoic acid, (E,E)- {linoleic acid} H3C-(CH2)4-CH=CH-CH2-CH=CH-(CH2)7-COOH IV.A-3
5293. 26836-35-1 0 1 0 9,12-Octadecadienoic acid (Z,Z)-, ester with 1,2,3-propanetriol monohexadecanoate mono[(Z)-9-octadecenoate]
V-3
5294. 544-35-4 0 1 0 9,12-Octadecadienoic acid (Z,Z)-, ethyl ester {ethyl linoleate}
H3C-(CH2)4-CH=CH-CH2-CH=CH-(CH2)7-COO-C2H5 V-3
5295. 4546-59-2 0 1 0 9,12-Octadecadienoic acid, 18-hydroxy-, (Z,Z)- IV.A-3
5296. 2462-85-3 0 1 0 9,12-Octadecadienoic acid, methyl ester V-3
5297. 112-63-0 1 1 1 9,12-Octadecadienoic acid (Z,Z)-, methyl ester {methyl linoleate}
H3C-(CH2)4-CH=CH-CH2-CH=CH-(CH2)7-COO-CH3 V-3
5298. 26836-38-4 0 1 0 9,12-Octadecadienoic acid (Z,Z)-, monoester with 1,2,3-propanetriol monooctadecanoate mono-9-octadecenoate, (Z)-
V-3
5299. 28880-78-6 0 1 0 9,12-Octadecadienoic acid (Z,Z)-, monoester with 1,2,3-propanetriol bis[(Z)-9-octadecenoate]
V-3
5300. 34521-51-2 0 1 0 9,12-Octadecadienoic acid (Z,Z)-, monoester with 1,2,3-propanetriol dioctadecanoate
V-3
5301. 70495-60-2 1 1 1 9,12-Octadecadienoic acid (Z,Z)-, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexa-triacontanonaenyl ester
V-3
5302. 53950-59-7 1 0 0 9,12-Octadecadienoic acid (Z,Z)-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-
V-3
5303. 506-43-4 0 1 0 9,12-Octadecadien-1-ol, (Z,Z)- II.A-5
5304. 56847-03-1 1 0 0 Octadecadiynoic acid, methyl ester V-3
5305. 593-45-3 1 1 1 Octadecane H3C-(CH2)16-CH3 I.A-10
5306. 1560-88-9 0 1 0 Octadecane, 2-methyl- H3C-(CH2)15-CH=(CH3)2 I.A-10
5307. 0 1 0 Octadecane, 3-methyl- H3C-(CH2)14-CH(CH3)-CH2-CH3 I.A-10
5308. 554-62-1 0 1 0 1,3,4-Octadecanetriol, 2-amino-, [2S-(2R*,3R*,4S*)]-
II.A-5, XII-2
5309. 57-11-4 1 1 1 Octadecanoic acid {stearic acid} H3C-(CH2)16-COOH IV.A-3
5310. 22413-03-2 1 1 1 Octadecanoic acid, docosyl ester H3C-(CH2)16-COO-(CH2)21-CH3 V-3
5311. 5303-25-3 1 1 1 Octadecanoic acid, dodecyl ester H3C-(CH2)16-COO-(CH2)11-CH3 V-3
5312. 22413-02-1 1 1 1 Octadecanoic acid, eicosyl ester H3C-(CH2)16-COO-(CH2)19-CH3 V-3
5313. 111-61-5 1 1 1 Octadecanoic acid, ethyl ester {ethyl stearate} H3C-(CH2)16-COO-CH2-CH3 V-3
5314. 42232-59-7 1 1 1 Octadecanoic acid, heneicosyl ester H3C-(CH2)16-COO-(CH2)20-CH3 V-3
5315. 121877-78-9 1 1 1 Octadecanoic acid, heptacosyl ester H3C-(CH2)16-COO-(CH2)26-CH3 V-3
5316. 18299-82-6 1 1 1 Octadecanoic acid, heptadecyl ester H3C-(CH2)16-COO-(CH2)16-CH3 V-3
5317. 58886-94-5 1 1 1 Octadecanoic acid, hexacosyl ester H3C-(CH2)16-COO-(CH2)25-CH3 V-3
5318. 1190-63-2 1 1 1 Octadecanoic acid, hexadecyl ester H3C-(CH2)16-COO-(CH2)15-CH3 V-3
5319. 1330-70-7 0 1 0 Octadecanoic acid, hydroxy- IV.A-3
5320. 3155-42-8 0 1 0 Octadecanoic acid, 18-hydroxy- HOCH2-(CH2)16-COOH IV.A-3
199
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5321. 112-61-8 1 1 1 Octadecanoic acid, methyl ester H3C-(CH2)16-COO-CH3 V-3
5322. 121877-86-9 1 1 1 Octadecanoic acid, nonacosyl ester H3C-(CH2)16-COO-(CH2)28-CH3 V-3
5323. 36610-45-4 1 1 1 Octadecanoic acid, nonadecyl ester H3C-(CH2)16-COO-(CH2)18-CH3 V-3
5324. 70495-59-9 1 1 1 Octadecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester
V-3
5325. 63317-82-8 1 1 1 Octadecanoic acid, octacosyl ester H3C-(CH2)16-COO-(CH2)27-CH3 V-3
5326. 2778-96-3 1 1 1 Octadecanoic acid, octadecyl ester H3C-(CH2)16-COO-(CH2)17-CH3 V-3
5327. 121877-65-4 1 1 1 Octadecanoic acid, pentacosyl ester H3C-(CH2)16-COO-(CH2)24-CH3 V-3
5328. 18299-80-4 1 1 1 Octadecanoic acid, pentadecyl ester H3C-(CH2)16-COO-(CH2)14-CH3 V-3
5329. 42232-61-1 1 1 1 Octadecanoic acid, tetracosyl ester H3C-(CH2)16-COO-(CH2)23-CH3 V-3
5330. 17661-50-6 1 1 1 Octadecanoic acid, tetradecyl ester H3C-(CH2)16-COO-(CH2)13-CH3 V-3
5331. 63317-83-9 1 1 1 Octadecanoic acid, triacontyl ester H3C-(CH2)16-COO-(CH2)29-CH3 V-3
5332. 42232-60-0 1 1 1 Octadecanoic acid, tricosyl ester H3C-(CH2)16-COO-(CH2)22-CH3 V-3
5333. 31556-45-3 1 1 1 Octadecanoic acid, tridecyl ester H3C-(CH2)16-COO-(CH2)12-CH3 V-3
5334. 17001-28-4 1 1 1 Octadecanoic acid, 16-methyl- H3C-CH2-CH(CH3)-(CH2)14-COOH IVA-3
5335. 121877-53-0 1 1 1 Octadecanoic acid, 16-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)14-COO-(CH2)21-CH3
V-3
5336. 121877-75-6 1 1 1 Octadecanoic acid, 16-methyl-, hexacosyl ester H3C-CH2-CH(CH3)-(CH2)14-COO-(CH2)25-CH3
V-3
5337. 2724-59-6 0 1 0 Octadecanoic acid, 17-methyl- (H3C)2=CH-(CH2)15-COOH IV.A-3
5338. 0 1 0 Octadecanoic acid, 17-methyl-, methyl ester (H3C)2=CH-(CH2)15-COO-CH3 V-3
5339. 62172-54-7 1 0 0 Octadecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-
V-3
5340. 112-92-5 1 1 1 1-Octadecanol {stearyl alcohol} H3C-(CH2)16-CH2OH II.A-5
5341. 2490-01-9 0 1 0 1-Octadecanol, 16-methyl- II.A-5
5342. 51592-59-7 0 1 0 3,6,9,12,15-Octadecapentaenoic acid, (all-Z)- IV.A-3
5343. 25448-06-0 0 1 0 Octadecatetraenoic acid IV.A-3
5344. 25448-03-7 0 1 0 Octadecatrienoic acid IV.A-3
5345. 27213-43-0 0 1 0 Octadecatrienoic acid, (Z,Z,Z)- IV.A-3
5346. 97190-08-4 0 1 0 Octadecatrienoic acid, ester with 1,2,3-propanetriol 1-(2-aminoethyl hydrogen phosphate) octadecadienoate, (all-Z)-
V-3
5347. 97229-62-4 0 1 0 Octadecatrienoic acid, ester with 1,2,3-propanetriol 1-(2-aminoethyl hydrogen phosphate) 2(or 3)-hexadecanoate, (Z,Z,Z)-
V-3
5348. 97229-63-5 0 1 0 Octadecatrienoic acid, ester with 1,2,3-propanetriol 1,1'-(hydrogen phosphate) 2(or 3)-(3-hexadecenoate), [R-(R*,S*)]-
V-3
5349. 29565-44-4 0 1 0 Octadecatrienoic acid, methyl ester V-3
5350. 13296-76-9 1 0 0 9,11,13-Octadecatrienoic acid IV.A-3
5351. 463-40-1 1 1 1 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
{linolenic acid}
H3C-(CH2CH=CH)3-(CH2)7-COOH IV.A-3
5352. 1 1 1 9,12,15-Octadecatrienoic acid, docosyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)21-CH3
V-3
200
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5353. 1 1 1 9,12,15-Octadecatrienoic acid, dodecyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)11-CH3
V-3
5354. 1 1 1 9,12,15-Octadecatrienoic acid, eicosyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)19-CH3
V-3
5355. 1191-41-9 0 1 0 9,12,15-Octadecatrienoic acid, ethyl ester, (Z,Z,Z)- H3C-(CH2CH=CH)3-(CH2)7-COOC2H5 V-3
5356. 1 1 1 9,12,15-Octadecatrienoic acid, heneicosyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)20-CH3
V-3
5357. 1 1 1 9,12,15-Octadecatrienoic acid, heptacosyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)26-CH3
V-3
5358. 1 1 1 9,12,15-Octadecatrienoic acid, heptadecyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)16-CH3
V-3
5359. 1 1 1 9,12,15-Octadecatrienoic acid, hexacosyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)25-CH3
V-3
5360. 1 1 1 9,12,15-Octadecatrienoic acid, hexadecyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)15-CH3
V-3
5361. 51327-73-2 0 1 0 9,12,15-Octadecatrienoic acid, 18-hydroxy-, (Z,Z,Z)- HOCH2-(CH2CH=CH)3-(CH2)7-COOH
IV.A-3
5362. 7361-80-0 1 1 1 9,12,15-Octadecatrienoic acid, methyl ester {methyl linolenate}
H3C-(CH2CH=CH)3-(CH2)7-COOCH3 V-3
5363. 301-00-8 1 1 1 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)- {methyl linolenate}
H3C-(CH2CH=CH)3-(CH2)7-COO-CH3 V-3
5364. 1 1 1 9,12,15-Octadecatrienoic acid, nonadecyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)18-CH3
V-3
5365. 28973-74-2 1 1 1 9,12,15-Octadecatrienoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester
V-3
5366. 17673-60-8 1 1 1 9,12,15-Octadecatrienoic acid, octadecyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)17-CH3
V-3
5367. 1 1 1 9,12,15-Octadecatrienoic acid, pentacosyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)24-CH3
V-3
5368. 1 1 1 9,12,15-Octadecatrienoic acid, pentadecyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)14-CH3
V-3
5369. 1 1 1 9,12,15-Octadecatrienoic acid, tetracosyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)23-CH3
V-3
5370. 1 1 1 9,12,15-Octadecatrienoic acid, tetradecyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)13-CH3
V-3
5371. 1 1 1 9,12,15-Octadecatrienoic acid, tricosyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)22-CH3
V-3
5372. 1 1 1 9,12,15-Octadecatrienoic acid, tridecyl ester, (Z,Z,Z)-
H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)12-CH3
V-3
5373. 30452-68-7 1 0 0 9,12,15-Octadecatrienoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E,Z,Z,Z)]]-
V-3
5374. 506-44-5 1 0 0 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- II.A-5
5375. 56554-87-1 0 1 0 16-Octadecenal III-12
5376. 27070-58-2 1 0 0 Octadecene H-(CH2)n-CH=CH-(CH2)(16-n)-H I.B-1
201
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5377. 112-88-9 1 0 0 1-Octadecene H2C=CH-(CH2)15-CH3 I.B-1
5378. 1 0 0 1-Octadecene, 2-methyl- H2C=C(CH3)-(CH2)15-CH3 I.B-1
5379. 1 0 0 2-Octadecene, (Z)- H3C-CH=CH-(CH2)14-CH3 I.B-1
5380. 1 0 0 2-Octadecene, (E)- I.B-1
5381. 1 0 0 2-Octadecene, 2-methyl- H3C-C(CH3)=CH-(CH2)14-CH3 I.B-1
5382. 1 0 0 2-Octadecene, 16-methyl-, (Z)- H3C-CH=CH-(CH2)12-CH(CH3)-CH2-CH3
I.B-1
5383. 1 0 0 2-Octadecene, 16-methyl-, (E)- I.B-1
5384. 1 0 0 2-Octadecene, 17-methyl-, (Z)- H3C-CH=CH-(CH2)13-CH(CH3)2 I.B-1
5385. 1 0 0 2-Octadecene, 17-methyl-, (E) I.B-1
5386. 26764-26-1 1 1 1 Octadecenoic acid {oleic acid} IV.A-3
5387. 112-79-8 1 1 1 Octadecenoic acid, (E)- {elaidic acid} IV.A-3
5388. 27104-13-8 0 1 0 Octadecenoic acid, (Z)- IV.A-3
5389. 93976-10-4 1 1 1 Octadecenoic acid, docosyl ester, (Z)- V-3
5390. 1 1 1 Octadecenoic acid, heneicosyl ester, (Z)- V-3
5391. 93976-08-0 1 1 1 Octadecenoic acid, hexacosyl ester, (Z)- V-3
5392. 27234-05-5 0 1 0 Octadecenoic acid, methyl ester V-3
5393. 93976-09-1 1 1 1 Octadecenoic acid, tetracosyl ester, (Z)- V-3
5394. 112-80-1 1 1 1 9-Octadecenoic acid (Z)- {oleic acid} H3C-(CH2)7-CH=CH-(CH2)7-COOH IV.A-3
5395. 71607-93-7 1 1 1 9-Octadecenoic acid (Z)-, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatria contanonaenyl ester
V-3
5396. 57840-35-4 1 0 0 9-Octadecenoic acid (Z)-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-
V-3
5397. 36078-10-1 1 1 1 9-Octadecenoic acid (Z)-, dodecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)11-CH3 V-3
5398. 22393-88-0 1 1 1 9-Octadecenoic acid (Z)-, eicosyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)19-CH3 V-3
5399. 111-62-6 1 1 1 9-Octadecenoic acid (Z)-, ethyl ester
{ethyl oleate}
H3C-(CH2)7-CH=CH-(CH2)7-COO-C2H5
V-3
5400. 1 1 1 9-Octadecenoic acid (Z)-, heptacosyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)26-CH3 V-3
5401. 22393-86-8 1 1 1 9-Octadecenoic acid (Z)-, hexadecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)16-CH3 V-3
5402. 112-62-9 1 1 1 9-Octadecenoic acid (Z)-, methyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-CH3
V-3
5403. 1 1 1 9-Octadecenoic acid (Z)-, nonadecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)18-CH3 V-3
5404. 17673-49-3 1 1 1 9-Octadecenoic acid (Z)-, octadecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)17-CH3 V-3
5405. 1 1 1 9-Octadecenoic acid (Z)-, pentacosyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)24-CH3 V-3
5406. 69454-18-8 1 1 1 9-Octadecenoic acid (Z)-, pentadecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)14-CH3 V-3
5407. 1 1 1 9-Octadecenoic acid (Z)-, tetracosyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)23-CH3 V-3
202
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5408. 22393-85-7 1 1 1 9-Octadecenoic acid (Z)-, tetradecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)13-CH3 V-3
5409. 1 1 1 9-Octadecenoic acid (Z)-, tricosyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)22-CH3 V-3
5410. 75164-73-7 1 1 1 9-Octadecenoic acid (Z)-, tridecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)12-CH3 V-3
5411. 104077-09-0 0 1 0 9-Octadecenoic acid, 18-[(1-oxo-9-octadecenyl)oxy]-, 1-(hydroxymethyl)-2- [(1-oxo-9-octadecenyl)oxy]ethyl ester, (Z,Z,Z)-
V-3
5412. 104077-10-3 0 1 0 9-Octadecenoic acid, 18-[(1-oxo-9-octadecenyl)oxy]-, 1-(hydroxymethyl)-1,2-ethanediyl ester, (all-Z)-
V-3
5413. 104100-34-7 0 1 0 9-Octadecenoic acid, 18-[(1-oxo-9-octadecenyl)oxy]-, 2-hydroxy-1,3-propanediyl ester, (all-Z)-
V-3
5414. 104077-06-7 0 1 0 9-Octadecenoic acid, 18-[(1-oxo-9-octadecenyl)oxy]-, 2-hydroxy-3-[(1-oxo-9- octadecenyl)oxy]propyl ester, (Z,Z,Z)-
V-3
5415. 104077-07-8 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-, 2-hydroxy-3-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]propyl ester, (all-Z)-
V-3
5416. 104077-11-4 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-, 1-(hydroxymethyl)-2-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]ethyl ester, (all-Z)-
V-3
5417. 104077-12-5 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-, 1-(hydroxymethyl)-1,2-ethanediyl ester, (all-Z)-
V-3
5418. 104100-35-8 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-, 2-hydroxy-1,3-propanediyl ester, (all-Z)-
V-3
5419. 104077-08-9 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy ]-9-octadecenyl]oxy]-, 2-hydroxy-3-[[1-oxo-18-[[1-oxo-18- [(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-9-octadecenyl]oxy]propyl ester, (all-Z)-
V-3
5420. 104077-13-6 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy ]-9-octadecenyl]oxy]-, 1-(hydroxymethyl)-2-[[1-oxo-18-[[1-oxo- 18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-9-octadecenyl]oxy]ethyl ester, (all-Z)-
V-3
5421. 24753-52-4 0 1 0 9-Octadecenoic acid, 18-hydroxy-, (Z)- II.A-5, IV.A-3
5422. 2462-84-2 0 1 0 9-Octadecenoic acid, methyl ester V-3
5423. 593-47-5 0 1 0 9-Octadecen-1-ol II.A-5
5424. 71899-42-8 0 1 0 5-Octadecyne H3C-(CH2)3-C≡C-(CH2)11-CH3 I.B-1
5425. 5392-40-5 1 1 1 2,6-Octadienal, 3,7-dimethyl- {citral} III-12
5426. 71607-91-5 1 0 0 1,6-Octadiene, 4,7-dimethyl- {2,5-dimethyl-2,7-octadiene}
H2C=CH-C(CH3)=CH-CH2-CH=C(CH3)2
I.B-1
203
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5427. 123-35-3 1 1 1 1,6-Octadiene, 7-methyl-3-methylene- {myrcene} H2C=CH-C(=CH2)-(CH2)2-CH=C(CH3)2
I.B-1
5428. 2216-70-8 1 0 0 2,4-Octadiene, 7-methyl- H3C-CH=CH-CH=CH-CH2-CH(CH3)2 I.B-1
5429. 71607-92-6 1 0 0 2,5-Octadiene, 7-methyl- H3C-CH=CH-CH2-CH=CH-CH(CH3)2 I.B-1
5430. 1 0 0 2,6-Octadiene, 2,6-dimethyl- I.B-1
5431. 1 0 0 2,7-Octadiene, 2,7-dimethyl- I.B-1
5432. 66957-95-7 0 1 0 2,7-Octadiene-1,6-diol, 2,6-dimethyl-, [S-(E)]- II.A-5
5433. 0 1 0 Octadienoic acid IV.A-3
5434. 459-80-3 0 1 0 2,6-Octadienoic acid, 3,7-dimethyl- {geranic acid} IV.A-3
5435. 4698-08-2 0 1 0 2,6-Octadienoic acid, 3,7-dimethyl-, (E)- IV.A-3
5436. 4613-38-1 0 1 0 2,6-Octadienoic acid, 3,7-dimethyl-, (Z)- IV.A-3
5437. 64090-50-2 0 1 0 5,7-Octadienoic acid, 7-methyl-4-(1-methylethyl)- IV.A-3
5438. 54557-54-9 0 1 0 5,7-Octadienoic acid, 7-methyl-4-(1-methylethyl)-, (E)-
IV.A-3
5439. 70687-51-3 0 1 0 5,7-Octadienoic acid, 7-methyl-4-(1-methylethyl)-, methyl ester
V-3
5440. 78-70-6 1 1 1 1,6-Octadien-3-ol, 3,7-dimethyl- {linalool}
HO
II.A-5
5441. 1 1 1 1,6-Octadien-3-ol, 3,7-dimethyl-, labeled with 14
C {
linalool-
14C}
XXV-29
5442. 115-95-7 0 1 0 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate {linalyl acetate}
V-3
5443. 115-99-1 0 1 0 1,6-Octadien-3-ol, 3,7-dimethyl-, formate {linalyl formate}
V-3
5444. 106-24-1 1 1 1 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- {geraniol} CH2OH
II.A-5
5445. 106-25-2 0 1 0 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- {nerol} II.A-5
5446. 38284-27-4 0 1 0 3,5-Octadien-2-one III-13
5447. 30086-02-3 0 1 0 3,5-Octadien-2-one, (E,E)- III-13
5448. 124-13-0 1 1 1 Octanal H3C-(CH2)6-CH=O III-12
5449. 107-75-5 0 1 0 Octanal, 7-hydroxy-3,7-dimethyl- {hydroxycitronellal}
III-12
5450. 111-86-4 1 1 1 1-Octanamine H3C-(CH2)6-CH2-NH2 XII-2
5451. 111-65-9 1 1 1 Octane H3C-(CH2)6-CH3 I.A-10
5452. 1 0 0 Octane, dimethyl- C6H12=(CH3)2 I.A-10
5453. 61193-19-9 1 0 0 Octane, methyl- C7H15-CH3 I.A-10
5454. 2216-34-4 0 1 0 Octane, 4-methyl- I.A-10
5455. 71607-64-2 1 0 0 Octane, phenyl- I.A-10, I.D-1
5456. 505-48-6 1 0 0 Octanedioic acid {suberic acid} IV.A-3
5457. 20653-90-1 0 1 0 2,3-Octanediol II.A-5
5458. 585-25-1 1 1 1 2,3-Octanedione III-13
5459. 65716-44-1 0 1 0 2,7-Octanedione, 3,3-dimethyl- III-13
5460. 124-07-2 1 1 1 Octanoic acid {caprylic acid} H3C-(CH2)6-COOH IV.A-3, XXI-3
5461. 14352-59-1 0 1 0 Octanoic acid, 3,3-dimethyl- IV.A-3
204
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5462. 106-32-1 1 1 1 Octanoic acid, ethyl ester {ethyl caprylate} V-3
5463. 111-11-5 0 1 0 Octanoic acid, methyl ester {methyl caprylate} V-3
5464. 3004-93-1 0 1 0 Octanoic acid, 2-methyl- IV.A-3
5465. 16493-80-4 0 1 0 Octanoic acid, 4-ethyl- IV.A-3
5466. 693-19-6 0 1 0 Octanoic acid, 7-methyl- IV.A-3
5467. 70898-30-5 1 1 1 Octanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester, (all-E)-
V-3
5468. 96937-51-8 1 0 0 Octanoic acid, oxo- III-13, IV.A-3
5469. 638-25-5 0 1 0 Octanoic acid, pentyl ester V-3
5470. 70898-31-6 0 1 0 Octanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-
V-3
5471. 111-87-5 1 1 1 1-Octanol {caprylic alcohol} H3C-(CH2)6-CH2OH II.A-5, XXI-3
5472. 0 1 0 1-Octanol, 3,7-dimethyl-, acetate {tetrahydrogeranyl acetate}
V-3
5473. 123-96-6 1 0 0 2-Octanol H3C-(CH2)5-CHOH-CH3 II.A-5
5474. 589-98-0 0 1 0 3-Octanol II.A-5
5475. 78-69-3 0 1 0 3-Octanol, 3,7-dimethyl- {tetrahydrolinalool} II.A-5
5476. 111-13-7 1 1 1 2-Octanone {hexyl methyl ketone} H3C-(CH2)5-CO-CH3 III-13
5477. 65716-45-2 0 1 0 2-Octanone, 7-hydroxy-3,3-dimethyl-, (±)- II.A-5, III-13
5478. 106-68-3 0 1 0 3-Octanone {ethyl amyl ketone} III-13
5479. 7194-85-6 1 1 1 Octatriacontane H3C-(CH2)36-CH3 I.A-10
5480. 929-20-4 1 0 0 1,3,6-Octatriene H2C=CH-CH=CH-CH2-CH=CH-CH3 I.B-1
5481. 13877-91-3 1 1 1 1,3,6-Octatriene, 3,7-dimethyl- {ocimene} H2C=CH-C(CH3)=CH-CH2-CH=C(CH3)2
I.B-1
5482. 3779-61-1 0 1 0 1,3,6-Octatriene, 3,7-dimethyl-, (E)- I.B-1
5483. 673-84-7 1 0 0 2,4,6-Octatriene, 2,6-dimethyl- {alloöcimene} (H3C)2=C=CH-CH=CH-C(CH3)=CH-CH3
I.B-1
5484. 29414-56-0 1 0 0 1,5,7-Octatrien-3-ol, 2,6-dimethyl- II.A-5
5485. 0 1 0 2-Octenal III-12
5486. 0 1 0 2-Octenal, 4-(1-methylethyl)- III-12
5487. 106-23-0 1 1 1 6-Octenal, 3,7-dimethyl- {citronellal} (H3C) 2=C=CH-(CH2) 2-CH(CH3)-CH2-CH=O
III-12
5488. 71607-54-0 1 0 0 Octene, methyl- I.B-1
5489. 111-66-0 1 0 0 1-Octene {caprylene} H2C=CH-(CH2)5-CH3 I.B-1
5490. 4588-18-5 1 0 0 1-Octene, 2-methyl- H2C=C(CH3)-(CH2)5-CH3 I.B-1
5491. 111-67-1 1 0 0 2-Octene H3C-CH=CH-(CH2)4-CH3 I.B-1
5492. 592-99-4 1 0 0 4-Octene H3C-(CH2)2-CH=CH-(CH2)2-CH3 I.B-1
5493. 28962-27-8 1 0 0 Octenoic acid IV.A-3
5494. 1470-50-4 0 1 0 2-Octenoic acid IV.A-3
5495. 0 1 0 2-Octenoic acid, 4-(1-methylethyl)-7-oxo- III-13, IV.A-3
5496. 0 1 0 4-Octenoic acid, 3-hydroxy-3-methyl- 6-(1-methylethyl)-
II.A-5, IV.A-3
205
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5497. 0 1 0 4-Octenoic acid, 3-hydroxy-3-methyl-6-(1-methylethyl)-, methyl ester
H3C CH3
CH3
OH
H3C-OOC
H3C
II.A-5, V-3
5498. 41654-08-4 0 1 0 4-Octenoic acid, 6-ethyl-3-hydroxy-3,7-dimethyl- II.A-5
5499. 63892-00-2 0 1 0 5-Octenoic acid IV.A-3
5500. 41653-97-8 0 1 0 5-Octenoic acid, (Z)- IV.A-3
5501. 502-47-6 0 1 0 6-Octenoic acid, 3,7-dimethyl- IV.A-3
5502. 18719-24-9 0 1 0 7-Octenoic acid IV.A-3
5503. 3391-86-4 0 1 0 1-Octen-3-ol II.A-5
5504. 18409-17-1 0 1 0 2-Octen-1-ol, (E)- H3C-(CH2)4-CH=CH-CH2OH II.A-5
5505. 106-22-9 1 1 1 6-Octen-1-ol, 3,7-dimethyl- {dl-citronellol} II.A-5
5506. 6812-78-8
141-25-3
0 1 0 7-Octen-1-ol, 3,7-dimethyl- {rhodinol} II.A-5
5507. 1669-44-9 0 1 0 3-Octen-2-one III-13
5508. 14129-48-7 0 1 0 4-Octen-3-one III-13
5509. 124354-88-7 0 1 0 Octen-4-one, 2,6-dimethyl-, monoepoxy derivative III-13, X-2
5510. 111-12-6 0 1 0 2-Octynoic acid, methyl ester H3C-(CH2)4-C≡C-COO-CH3 V-3
5511. 508-02-1 0 1 0 Olean-12-en-28-oic acid, 3-hydroxy-, (3β)- II.A-5, IV.A-3
5512. 471-53-4 1 0 0 Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-,
(3β,20β)-
II.A-5, III-13, IV.A-3
5513. 559-70-6 1 1 1 Olean-12-en-3-ol, (3β)- {β-amyrin}
HO
H3C CH3
H3C
CH3
CH3
CH3H3C
CH3
II.A-5, II.B-2
5514. 7006-33-9 1 1 1 Ornithine {2,3-diaminopentanoic acid} H2N-(CH2)3-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
5515. 70-26-8 1 1 1 L-Ornithine IV.A-3, IV.B-7, XII-2
5516. 20197-09-5 0 1 0 L-Ornithine, N2-(1-carboxyethyl)-, (R)- IV.A-3, IV.B-7, XII-2
5517. 372-75-8 0 1 0 L-Ornithine, N5-(aminocarbonyl)- {citrulline} H2N-CO-NH-(CH2)3-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2, XIII-1
5518. 7440-04-2 1 1 1 Osmium Os XX-5
5519. 141093-09-6 0 1 0 1-226-Osmotin (Nicotiana tabacum samsun clone pMOG404 reduced)
XXII-2
5520. 141093-08-5 0 1 0 Osmotin (Nicotiana tabacum samsun clone pMOG404 reduced)
XXII-2
5521. 143638-31-7 0 1 0 Osmotin (Nicotiana tabacum samsun clone pTOL1 precursor reduced)
XXII-2
5522. 143638-32-8 0 1 0 Osmotin (Nicotiana tabacum samsun clone pTOL1 reduced)
XXII-2
5523. 131553-54-3 0 1 0 Osmotin (Nicotiana tabacum samsun reduced) XXII-2
5524. 142583-50-4 0 1 0 Osmotin (tobacco clone pVK5 precursor reduced) XXII-2
206
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5525. 142583-51-5 0 1 0 Osmotin (tobacco clone pVK5 reduced) XXII-2
5526. 190-26-1 1 0 0 Ovalene
I.E-6
5527. 38284-11-6 0 1 0 7-Oxabicyclo[4.1.0]heptane-2,5-dione, 1,3,3-trimethyl-
III-13, X-2
5528. 73051-73-7 0 1 0 7-Oxabicyclo[2.2.1]heptan-2-ol, 1-(3-hydroxy-1-butenyl)-2,6,6-trimethyl-
OH
CH3
CH3
OH
O
H3C CH3
II.A-5, X-2
5529. 68573-20-6 0 1 0 7-Oxabicyclo[4.1.0]heptan-3-ol, 6-(3-hydroxy-1-butenyl)-1,5,5-trimethyl-
HO
OCH3
CH3
H3C CH3
OH II.A-5, X-2
5530. 72777-88-9 0 1 0 7-Oxabicyclo[4.1.0]heptan-3-ol, 6-(3-hydroxy-1-butenyl)-1,5,5-trimethyl-
II.A-5, X-2
5531. 470-82-6 1 1 1 2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl- {eucalyptol; 1.8-cineole}
O
CH3
CH3
H3C
X-2
5532. 72693-08-4 1 0 0 6-Oxabicyclo[3.2.1]octan-7-one, 8-hydroxy-1-methyl-
II.A-5
5533. 640-06-2 1 0 0 6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy- {Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, γ -lactone; quinic acid lactone; quinide}
OH
OHHO
O C
O
II.A-5, VI-3
5534. 27783-00-2 1 1 1 6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-, (exo,exo)-
II.A-5
5535. 665-27-0 1 0 0 6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-, [1S-(exo,exo)]-
II.A-5, X-2
5536. 98064-77-8 0 1 0 15-Oxabicyclo[10.2.1]pentadec-6-en-3-one, 5,11-dihydroxy-1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,5S*,6E,8S*,11R*,
II.A-5, III-13, X-2
H3C CH3
OH
CH3
CH3 OO
OH
H3C
12
3 4
5
6
7
8
9
10
11
5537. 98167-33-0 0 1 0 15-Oxabicyclo[10.2.1]pentadec-6-en-3-one, 5,11-dihydroxy-1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,5S*,6E,8S*,11S*,12S*)]-
II.A-5, III-13, X-2
H3C CH3
OH
CH3
CH3 OO
OH
H3C
12
3 4
5
6
78
9
10
11
207
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5538. 98064-76-7 0 1 0 15-Oxabicyclo[10.2.1]pentadec-6-en-3-one, 5-hydroxy-1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R-(1R*,5S*,6E,8S*,1
II.A-5, III-13, X-2
H3C CH3
OH
CH3
CH3O
H2C
O
12
3 4
5
6
7
89
10
11
12 1314
5539. 121927-14-8 0 1 0 15-Oxabicyclo[10.2.1]pentadec-6-ene-2,3,5-triol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R-(1R*,2S*,3R*,5S*,6E,8
II.A-5, X-2
5540. 57760-48-2 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol, 1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,2E,5S*,6E,8S*,10E,12S*)]-
H3C CH3
OH
CH3
CH3O
H3C
1
2
3
4
5
6
78
9
10
11
II.A-5, X-2
5541. 60047-18-9 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol, 1,5,11-trimethyl-8-(1-methylethyl)-
H3C CH3
OH
CH3
CH3O
H3C
12
3
4
5
6
78
9
10
11
II.A-5, X-2
5542. 60026-18-8 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6,10-triene, 1,11-dimethyl-5-methylene-8-(1-methylethyl)-
X-2
5543. 69010-30-6 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6,10-triene, 1,11-dimethyl-5-methylene-8-(1-methylethyl)-, [1R-(1R*,2E,6E,8S*,10Z,12S*)]-
H3C CH3
OCH3
H3C
1
2
3
4
5
6
78
9
10
11
CH2
X-2
5544. 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6,10-triene, 1,5,11-trimethyl-8-(1-methylethyl)-
H3C CH3
CH3H3C
CH3
O
1
24
568
10
11
X-2
5545. 57688-98-9 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R-(1R*,2E,5S*,6E,8R*,10S*)]-
H3C CH3
OH
CH3
OCH3
H2C
1
2
3
4
5
6
78
9
10
11
II.A-5, X-2
5546. 57760-47-1 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R-(1R*,2E,5R*,6E,8S*,12S*)]- H2C
H3C CH3
CH3O
1
2
3
4
5
6
78
9
10
11
OH
CH3
II.A-5, X-2
208
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5547. 60047-16-7 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-
H3C CH3
CH3
H2C
O
CH3
OH
II.A-5, X-2
5548. 102977-88-8 0 1 0 15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 5-methyl-11-methylene-8-(1-methylethyl)-
5549. 72693-05-1 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6-diene, 1-methyl-5,11-bis(methylene)-8-(1-methylethyl)-
H3C CH3
CH3
CH2H2C
O
X-2
5550. 58947-96-9 0 1 0 15-Oxabicyclo[10.2.1]pentadeca-6,10-dien-2-one, 8-hydroxy-8,12-dimethyl-5-(1-methylethyl)-
II.A-5, III-13, X-2
5551. 98064-75-6 0 1 0 15-Oxabicyclo[10.2.1]pentadeca-6,10-dien-3-one, 5-hydroxy-1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,5S*,6E,8S*,10E,
II.A-5, III-13, X-2
H3C CH3
OH
CH3
CH3O O
12
3 4
5
6
7
89
10
11
12 1314
H3C
5552. 66890-76-4 0 1 0 15-Oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol, 2,8,12-trimethyl-5-(1-methylethyl)-, [1S-(1R*,2S*,5R*,6E,8R*,10E,12S*)]-
H3C CH3
OH
CH3
O
OH
H3C
CH3
1
2
3
4
5
6 7
8
9
10
II.A-5, X-2
5553. 66966-04-9 0 1 0 15-Oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol, 2,8,12-trimethyl-5-(1-methylethyl)-, [1S-(1R*,2R*,5R*,6E,8R*,10E,12S*)]-
H3C CH3
OH
CH3
O
OH
H3C
CH3
1
2
3
4
5
6 7
8
9
10
II.A-5, X-2
5554. 119613-99-9 0 1 0 15-Oxabicyclo[12.1.0]pentadec-9-en-5-one, 11,13-dihydroxy-1,11-dimethyl-8-(1-methylethyl)-, [1S-(1R*,8R*,9E,11R*,13S*,14S*)]-
II.A-5, III-13, X-2
5555. 98064-73-4 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-dien-6-one, 8-hydroxy-4,8,14-trimethyl-11-(1-methylethyl)-, [1S-(1R*,4E,8R*,9E,11R*)]
H3C CH3
CH3
OH
CH3
CH3 O
O1
2 43 5 6 7
8
9101112
13
14
II.A-5, III-13, X-2
5556. 152209-53-5 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol, 11-(1-hydroxy-1-methylethyl)-4,8,14-trimethyl-, [1S-(1R*,4E,6S*,8R*,9E,11S*,14R*)]-
II.A-5, X-2
5557. 70969-36-7 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol, 4,8,14-trimethyl-11-(1-methylethyl)-
II.A-5, X-2
5558. 75281-93-5 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol, 4,8,14-trimethyl-11-(1-methylethyl)-, [1S-(1R*,4E,6S*,8S*,9E,11R*,14R*)]-
II.A-5, X-2
5559. 75281-99-1 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol, 4,8,14-trimethyl-11-(1-methylethyl)-, [1S-(1R*,4E,6S*,8R*,9E,11R*,14R*)]-
II.A-5, X-2
209
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5560. 75282-00-7 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol, 4,8,14-trimethyl-11-(1-methylethyl)-, [1R-(1R*,4E,6R*,8S*,9E,11S*,14R*)]-
II.A-5, X-2
5561. 62498-80-0 0 1 0 15-Oxabicyclo[9.3.1]pentadeca-2,6-diene-5,12-diol, 1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,2E,5S*,6E,8R*,11S*,12S*)]-
H3C CH3
OH
CH3
CH3
H3C
12
3
4
5
6
78
9
10
O
HO
11
12
II.A-5, X-2
5562. 123-69-3 1 0 0 Oxacycloheptadec-8-en-2-one, (Z)-{ambrettolide} (CH2)8
(CH2)6
O
O
VI-6
5563. 106-02-5 0 1 0 Oxacyclohexadecan-2-one
{ω-pentadecalactone; exaltolide}
O(CH2)6
(CH2)6 O
VI-6
5564. 68985-15-9 0 1 0 Oxacyclononadec-10-en-2-one, (E)- O
(CH2)8
(CH2)7 O
VI-6
5565. 60918-97-0 0 1 0 1,3,4-Oxadiazol-2-amine, N-(4-bromophenyl)-5-(1-naphthalenylmethyl)-
XII-2, XVII.D-2, XVIII.B-3
5566. 72962-43-7 0 1 0 β-homo-7-Oxaergostan-6-one, 2,3,22,23-
tetrahydroxy-, (2α,3α,5α,22R,23R,24S)-
II.A-5, III-13
5567. 80722-28-7 0 1 0 1-Oxaspiro[4.5]deca-2,6-dien-8-one, 2,6,10,10-tetramethyl-
O
2
34
67
8
910 CH3
CH3
CH3
H3C
O
III-13, X-2
5568. 57893-27-3 0 1 0 1-Oxaspiro[4.5]decane, 6-acetoxy-2,6,10,10-tetramethyl- {6-acetoxydihydrotheaspirane}
O
CH3
CH3
CH3H3C
OOC-CH3
V-3, X-2
5569. 65620-50-0 0 1 0 1-Oxaspiro[4.5]decane, 6-hydroxy-2,6,10,10-tetramethyl- {6-hydroxydihydrotheaspirane}
O
CH3
CH3
OH
CH3H3C
II.A-5, X-2
5570. 0 1 0 1-Oxaspiro[4,5]dec-7-ene, 2,10,10-trimethyl- {vitispirane}
O
CH3
CH3H3C
CH2
X-2
5571. 38713-26-7 0 1 0 1-Oxaspiro[4.5]dec-2-en-8-one, 2,6,6,10-tetramethyl-
O
CH3
CH3H3C
CH3O
III-13, X-2
5572. 19377-59-4 0 1 0 1-Oxaspiro[4.5]dec-6-en-8-one, 2,6,10,10-tetramethyl-
O
CH3
CH3H3C
CH3O
III-13, X-2
210
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5573. 5259-88-1 0 1 0 1,4-Oxathiin-3-carboxamide 4,4-dioxide, 5,6-dihydro-2-methyl-N-phenyl-
{Oxycarboxin®} NH
O
S
O O
O
XXI-3
5574. 1139-30-6 0 1 0 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-
{β-caryophyllene oxide}
CH3
CH3
CH3
H2C
9
4
1
2
36
7
8
11
O5
10
12
X-2
5575. 15769-88-7 1 1 1 2H-1,2-Oxazine, tetrahydro-2-methyl-6-(3-pyridinyl)-, (-)-
XVII.B-2
5576. 71607-95-9 1 0 0 2H-1,2-Oxazine, tetrahydro-3-(1-methylethyl)-6-(3-pyridinyl)-
XVII.B-2
5577. 7208-05-1 1 0 0 Oxazole, 2,4-dimethyl- XVII.D-2
5578. 1 0 0 Oxazole, 2,4-dimethyl-5-butyl- XVII.D-2
5579. 1 0 0 Oxazole, 2,4-dimethyl-5-ethyl- XVII.D-2
5580. 1 0 0 Oxazole, 2,4-dimethyl-5-(2-methylpropyl)- XVII.D-2
5581. 1 0 0 Oxazole, 2,4-dimethyl-5-propyl- XVII.D-2
5582. 23012-11-5 1 0 0 Oxazole, 2,5-dimethyl- XVII.D-2
5583. 1 0 0 Oxazole, 2,5-dimethyl-4-ethyl- XVII.D-2
5584. 1 0 0 Oxazole, 2,5-dimethyl-4-(2-methylpropyl)- XVII.D-2
5585. 20654-94-8
20662-83-3
1 0 0 Oxazole, 4,5-dimethyl- XVII.D-2
5586. 1 0 0 Oxazole, 4,5-dimethyl-2-butyl- XVII.D-2
5587. 1 0 0 Oxazole, 4,5-dimethyl-2-ethyl- XVII.D-2
5588. 1 0 0 Oxazole, 4,5-dimethyl-2-(1-methylpropyl)- XVII.D-2
5589. 1 0 0 Oxazole, 4,5-dimethyl-2-(2-methylpropyl)- XVII.D-2
5590. 1 0 0 Oxazole, 2-ethyl-4-methyl- XVII.D-2
5591. 1 0 0 Oxazole, 2-ethyl-5-methyl- XVII.D-2
5592. 23012-10-4 1 0 0 Oxazole, 2-methyl-
O N1 3
5 4
CH3
XVII.D-2
5593. 1 0 0 Oxazole, 2-(2-methylpropyl)- XVII.D-2
5594. 1 0 0 Oxazole, 2-(3-methylbutyl)- XVII.D-2
5595. 1 0 0 Oxazole, 2-methyl-4-butyl- XVII.D-2
5596. 1 0 0 Oxazole, 2-methyl-5-ethyl- XVII.D-2
5597. 1 0 0 Oxazole, 2-methyl-4-(2-methylpropyl)- XVII.D-2
5598. 1 0 0 Oxazole, 4-(2-methylpropyl)- XVII.D-2
5599. 1 0 0 Oxazole, 4-methyl-2-butyl- XVII.D-2
5600. 1 0 0 Oxazole, 4-methyl-2-(2-methylpropyl)- XVII.D-2
5601. 1 0 0 Oxazole, 4-methyl-5-(2-methylpropyl)- XVII.D-2
5602. 1 0 0 Oxazole, 4-methyl-2-propyl- XVII.D-2
211
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5603. 1 0 0 Oxazole, 4-methyl-5-propyl- XVII.D-2
5604. 1 0 0 Oxazole, 4-pentyl- XVII.D-2
5605. 1 0 0 Oxazole, 5-methyl-4-ethyl- XVII.D-2
5606. 20662-84-4 0 1 0 Oxazole, trimethyl- = 2,4,5-Trimethyloxazole XVII.D-2
5607. 2346-26-1 1 0 0 2,4-Oxazolidinedione XIV-1, XVII.D-2
5608. 50471-44-8 0 1 0 2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl- {Vinclozolin®}
N
Cl
Cl
O
O
O
XIV-1, XVIII.B-3,
XXI-3
5609. 1 0 0 2,4-Oxazolidinedione, 5-ethyl-1-methyl- XIV-1, XVII.D-2
5610. 27770-23-6 1 0 0 2,4-Oxazolidinedione, 5-methyl- XIV-1, XVII.D-2
5611. 9035-73-8 0 1 0 Oxidase XXII-2
5612. 9029-44-1 0 1 0 Oxidase, ascorbate XXII-2
5613. 0 1 0 Oxidase, choline XXII-2
5614. 9076-84-0 0 1 0 Oxidase, coproporphyrinogen XXII-2
5615. 9001-16-5 0 1 0 Oxidase, cytochrome XXII-2
5616. 9001-53-0 0 1 0 Oxidase, diamine XXII-2
5617. 9028-71-1 0 1 0 Oxidase, glycolate XXII-2
5618. 9027-85-4 0 1 0 Oxidase, indoleacetate XXII-2
5619. 55326-39-1 0 1 0 Oxidase, isopentenyladenosine XXII-2
5620. 37259-79-3 0 1 0 Oxidase, methylputrescine XXII-2
5621. 9001-96-1 0 1 0 Oxidase, pyruvate XXII-2
5622. 9032-21-7 0 1 0 Oxidase, reduced nicotinamide adenine dinucleotide
XXII-2
5623. 9032-22-8 0 1 0 Oxidase, reduced nicotinamide adenine dinucleotide phosphate
XXII-2
5624. 9014-35-1 0 1 0 Oxidase, succinate XXII-2
5625. 69671-26-7 0 1 0 Oxidase, ubiquinol XXII-2
5626. 9002-12-4 0 1 0 Oxidase, urate XXII-2
5627. 9002-17-9 0 1 0 Oxidase, xanthine XXII-2
5628. 75-21-8 1 0 0 Oxirane {ethylene oxide} X-2
5629. 106-89-8 0 1 0 Oxirane, (chloromethyl)- X-2, XVIII.B-3
5630. 7200-26-2 1 0 0 Oxirane, 2,2-dimethyl-3-(3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-, (all-E)-
X-2
5631. 75-56-9 1 0 0 Oxirane, methyl- {propylene oxide} X-2
5632. 96-09-3 0 1 0 Oxirane, phenyl- {phenylethylene oxide} X-2
5633. 77288-97-2 0 1 0 Oxiranebutanol, 3-(1-hydroxy-1-methylethyl)-α-
methyl-δ-(1-methylethyl)-, [2α(αS*,δR*),3α]-
II.A-5, X-2
5634. 77288-94-9 0 1 0 Oxiranebutanol, 3-(1-hydroxyethyl)-α-methyl-δ-(1-methylethyl)-
II.A-5, X-2
5635. 0 1 0 Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester {ethyl methylphenylglycidate}
V-3, X-2
5636. 61892-62-4 0 1 0 2,3-Oxiranedimethanol, monopropanoate II.A-5, V-3, X-2
212
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5637. 556-52-5 1 0 0 Oxiranemethanol {glycidol} O
CH2OH
II.A-5, X-2
5638. 0 1 0 Oxiranemethanol, acetate {glycidyl acetate} O
CH2OOC-CH3
V-3, X-2
5639. 51297-34-8 0 1 0 Oxiranemethanol, 3-(1-ethyl-2-methylpropyl)-α,α-dimethyl-
II.A-5, X-2
5640. 7782-44-7 1 1 1 Oxygen O2 XIX-5, XX-5
5641. 7782-44-7 1 1 1 Oxygen (diradical) XXVII-1
5642. 9029-57-6 0 1 0 Oxygenase, 2,5-dihydroxypyridine 5,6-di- XXII-2
5643. 152060-37-2 0 1 0 Oxygenase, benzoate 2-mono- XXII-2
5644. 9077-75-2 0 1 0 Oxygenase, cinnamate 4-mono- XXII-2
5645. 9068-40-0 0 1 0 Oxygenase, p-coumarate 3-mono- XXII-2
5646. 9002-10-2 0 1 0 Oxygenase, monophenol mono- XXII-2
5647. 9028-06-2 0 1 0 Oxygenase, protocollagen proline di- XXII-2
5648. 39335-11-0 0 1 0 Oxygenase, ribulose diphosphate XXII-2
5649. 7440-05-3 1 1 1 Palladium Pd XX-5
5650. 142193-29-1 0 1 0 Parasiticein XXII-2
5651. 142193-19-9 0 1 0 Parasiticein (Phytophthora parasitica reduced) XXII-2
5652. 9046-40-6 0 1 0 Pectic acid IV.A-3, VIII-3
5653. 0 1 0 Pectic acid, labeled with 14
C {pectic acid-14
C} XXV-29
5654. 65028-58-2 0 1 0 Pectic acid, magnesium salt XX-6
5655. 9000-69-5 0 1 0 Pectin VIII-3
5656. 0 1 0 Pectin, labeled with 14
C {pectin-14
C} XXV-29
5657. 0 1 0 Pectinic acid IV.A-3, VIII-3
5658. 135-48-8 1 0 0 Pentacene {benzo[b]naphthacene}
I.E-6
5659. 629-99-2 1 1 1 Pentacosane H3C-(CH2)23-CH3 I.A-10
5660. 629-87-8 1 0 0 Pentacosane, 2-methyl- H3C-(CH2)22-CH=(CH3)2 I.A-10
5661. 506-38-7 1 1 1 Pentacosane, 3-methyl- I.A-10
5662. 506-38-7 1 1 1 Pentacosanoic acid H3C-(CH2)23-COOH IV.A-3
5663. 121877-88-1 1 1 1 Pentacosanoic acid, docosyl ester H3C-(CH2)23-COO-(CH2)21-CH3 V-3
5664. 1 1 1 Pentacosanoic acid, dodecyl ester H3C-(CH2)23-COO-(CH2)11-CH3 V-3
5665. 121877-80-3 1 1 1 Pentacosanoic acid, eicosyl ester H3C-(CH2)23-COO-(CH2)19-CH3 V-3
5666. 1 1 1 Pentacosanoic acid, heneicosyl ester H3C-(CH2)23-COO-(CH2)20-CH3 V-3
5667. 1 1 1 Pentacosanoic acid, heptacosyl ester H3C-(CH2)23-COO-(CH2)26-CH3 V-3
5668. 1 1 1 Pentacosanoic acid, heptadecyl ester H3C-(CH2)23-COO-(CH2)16-CH3 V-3
5669. 1 1 1 Pentacosanoic acid, hexacosyl ester H3C-(CH2)23-COO-(CH2)25-CH3 V-3
5670. 1 1 1 Pentacosanoic acid, hexadecyl ester H3C-(CH2)23-COO-(CH2)15-CH3 V-3
5671. 1 1 1 Pentacosanoic acid, nonadecyl ester H3C-(CH2)23-COO-(CH2)18-CH3 V-3
5672. 1 1 1 Pentacosanoic acid, octadecyl ester H3C-(CH2)23-COO-(CH2)17-CH3 V-3
5673. 10482-74-3 1 1 1 Pentacosanoic acid, pentacosyl ester H3C-(CH2)23-COO-(CH2)24-CH3 V-3
213
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5674. 1 1 1 Pentacosanoic acid, pentadecyl ester H3C-(CH2)23-COO-(CH2)14-CH3 V-3
5675. 1 1 1 Pentacosanoic acid, tetracosyl ester H3C-(CH2)23-COO-(CH2)23-CH3 V-3
5676. 1 1 1 Pentacosanoic acid, tetradecyl ester H3C-(CH2)23-COO-(CH2)13-CH3 V-3
5677. 1 1 1 Pentacosanoic acid, tricosyl ester H3C-(CH2)23-COO-(CH2)32-CH3 V-3
5678. 1 1 1 Pentacosanoic acid, tridecyl ester H3C-(CH2)23-COO-(CH2)12-CH3 V-3
5679. 0 1 0 Pentacosanoic acid, 23-methyl- H3C-CH2-CH(CH3)-(CH2)21-COOH IV.A-3
5680. 121877-85-8 1 1 1 Pentacosanoic acid, 23-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)21-COO-(CH2)20-CH3
V-3
5681. 129074-11-9 1 0 0 Pentacosanol II.A-5
5682. 26040-98-2 0 1 0 1-Pentacosanol H3C-(CH2)23-CH2OH II.A-5
5683. 63785-24-0 0 1 0 1-Pentacosanol, 24-methyl- (H3C)2=CH-(CH2)22-CH2OH II.A-5
5684. 30551-31-6 1 0 0 Pentacosene I.B-1
5685. 16980-85-1 1 0 0 1-Pentacosene H3C-(CH2)22-CH=CH2 I.B-1
5686. 1 0 0 1-Pentacosene, 2-methyl- H2C=CH-(CH2)22-CH3 I.B-1
5687. 1 0 0 2-Pentacosene, (Z)- H3C-CH=CH-(CH2)21-CH3 I.B-1
5688. 1 0 0 2-Pentacosene, (E)- I.B-1
5689. 1 0 0 2-Pentacosene, 2-methyl- H3C-C(CH3)=CH-(CH2)21-CH3 I.B-1
5690. 1 0 0 2-Pentacosene, 23-methyl-, (Z)- H3C-CH=CH-(CH2)19-CH(CH3)-CH2-CH3
I.B-1
5691. 1 0 0 2-Pentacosene, 23-methyl-, (E)- I.B-1
5692. 1 0 0 2-Pentacosene, 24-methyl-, (Z)- H3C-CH=CH-(CH2)20-CH(CH3)2 I.B-1
5693. 1 0 0 2-Pentacosene, 24-methyl-, (E)- I.B-1
5694. 102673-27-8 0 1 0 4,9-Pentadecadienal, 6-(acetyloxy)-8-hydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-, [6R-(4E,6R*,8R*,9E,11S*)]-
II.A-5, V-3, III-12
5695. 95360-16-0 0 1 0 4,9-Pentadecadienal, 6,8-dihydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-, [6R-(4E,6R*,8S*,9E,11S*)]-
II.A-5, III-12
5696. 1 0 0 Pentadecadiene, 2,6,10,14-tetramethyl- I.B-1
5697. 70898-33-8 1 0 0 4,9-Pentadecadienoic acid, 6,8-dihydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-
II.A-5, IV.A-3, III-13
H3C CH3
CH3
OH
OH
H3C
O
HOOCCH3
5698. 102734-50-9 0 1 0 4,9-Pentadecadienoic acid, 6,8-dihydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-, methyl ester, [6R-(4E,6R*,8S*,9E,11S*)]-
II.A-5, V-3, III-13
5699. 102734-51-0 0 1 0 4,9-Pentadecadienoic acid, 6,8-dihydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-, methyl ester, [6R-(4E,6R*,8R*,9E,11S*)]-
II.A-5, V-3, III-13
5700. 152209-55-7 0 1 0 6,11-Pentadecadien-2-one, 8,10,15-trihydroxy-8,12-dimethyl-5-(1-methylethyl)-, [5S-(5R*,6E,8R*,10S*,11E)]-
II.A-5, III-13
5701. 2765-11-9 0 1 0 Pentadecanal H3C-(CH2)13-CH=O III-12
5702. 68982-28-5 0 1 0 Pentadecanal, 2-ethylidene-6,10,14-trimethyl- H- III-12
214
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5703. 629-62-9 1 1 1 Pentadecane H3C-(CH2)13-CH3 I.A-10
5704. 0 1 0 Pentadecane, 4-acetoxy- V-3
5705. 1560-93-6 1 1 1 Pentadecane, 2-methyl- H3C-(CH2)12-CH=(CH3)2 I.A-10
5706. 2882-96-4 1 1 1 Pentadecane, 3-methyl- H3C-(CH2)11-CH(CH3)-CH2-CH3 I.A-10
5707. 1921-70-6 1 0 0 Pentadecane, 2,6,10,14-tetramethyl- I.A-10
5708. 3892-00-0 1 0 0 Pentadecane, 2,6,10-trimethyl- I.A-10
5709. 1460-18-0 1 0 0 Pentadecanedioic acid HOOC-(CH2)13-COOH IV.A-3
5710. 1002-84-2 1 1 1 Pentadecanoic acid H3C-(CH2)13-COOH IV.A-3
5711. 42232-23-5 1 1 1 Pentadecanoic acid, docosyl ester H3C-(CH2)13-COO-(CH2)21-CH3 V-3
5712. 42232-14-4 1 1 1 Pentadecanoic acid, dodecyl ester H3C-(CH2)13-COO-(CH2)11-CH3 V-3
5713. 36617-37-5 1 1 1 Pentadecanoic acid, eicosyl ester H3C-(CH2)13-COO-(CH2)19-CH3 V-3
5714. 41114-00-5 0 1 0 Pentadecanoic acid, ethyl ester H3C-(CH2)13-COO-CH2-CH3 V-3
5715. 42232-22-4 1 1 1 Pentadecanoic acid, heneicosyl ester H3C-(CH2)13-COO-(CH2)20-CH3 V-3
5716. 1 1 1 Pentadecanoic acid, heptacosyl ester H3C-(CH2)13-COO-(CH2)26-CH3 V-3
5717. 36617-34-2 1 1 1 Pentadecanoic acid, heptadecyl ester H3C-(CH2)13-COO-(CH2)16-CH3 V-3
5718. 1 1 1 Pentadecanoic acid, hexacosyl ester H3C-(CH2)13-COO-(CH2)25-CH3 V-3
5719. 36617-33-1 1 1 1 Pentadecanoic acid, hexadecyl ester H3C-(CH2)13-COO-(CH2)15-CH3 V-3
5720. 7132-64-1 1 1 1 Pentadecanoic acid, methyl ester H3C-(CH2)13-COO-CH3 V-3
5721. 36617-36-4 1 1 1 Pentadecanoic acid, nonadecyl ester H3C-(CH2)13-COO-(CH2)18-CH3 V-3
5722. 36617-35-3 1 1 1 Pentadecanoic acid, octadecyl ester H3C-(CH2)13-COO-(CH2)17-CH3 V-3
5723. 1 1 1 Pentadecanoic acid, pentacosyl ester H3C-(CH2)13-COO-(CH2)24-CH3 V-3
5724. 36617-32-0 1 1 1 Pentadecanoic acid, pentadecyl ester H3C-(CH2)13-COO-(CH2)14-CH3 V-3
5725. 121877-44-9 1 1 1 Pentadecanoic acid, tetracosyl ester H3C-(CH2)13-COO-(CH2)23-CH3 V-3
5726. 36617-31-9 1 1 1 Pentadecanoic acid, tetradecyl ester H3C-(CH2)13-COO-(CH2)13-CH3 V-3
5727. 42232-24-6 1 1 1 Pentadecanoic acid, tricosyl ester H3C-(CH2)13-COO-(CH2)22-CH3 V-3
5728. 36617-30-8 1 1 1 Pentadecanoic acid, tridecyl ester H3C-(CH2)13-COO-(CH2)12-CH3 V-3
5729. 1 1 1 Pentadecanoic acid, 13-methyl- H3C-CH2-CH(CH3)-(CH2)11-COOH V-3
5730. 121877-18-7 1 1 1 Pentadecanoic acid, 13-methyl-, heptadecyl ester H3C-CH2-CH(CH3)-(CH2)11-COO-(CH2)16-CH3
V-3
5731. 121877-55-2 1 1 1 Pentadecanoic acid, 13-methyl-, pentacosyl ester H3C-CH2-CH(CH3)-(CH2)11-COO-(CH2)24-CH3
V-3
5732. 121877-43-8 1 1 1 Pentadecanoic acid, 13-methyl-, tricosyl ester H3C-CH2-CH(CH3)-(CH2)11-COO-(CH2)32-CH3
V-3
5733. 4669-02-7 1 1 1 Pentadecanoic acid, 14-methyl- (H3C)2=CH-(CH2)12-COOH IV.A-3
5734. 121877-31-4 1 1 1 Pentadecanoic acid, 14-methyl-, docosyl ester (H3C)2=CH-(CH2)12-COO-(CH2)21-CH3 V-3
5735. 121877-27-8 1 1 1 Pentadecanoic acid, 14-methyl-, eicosyl ester (H3C)2=CH-(CH2)12-COO-(CH2)19-CH3 V-3
5736. 121877-13-2 1 1 1 Pentadecanoic acid, 14-methyl-, heptadecyl ester (H3C)2=CH-(CH2)12-COO-(CH2)16-CH3 V-3
5737. 121877-20-1 1 1 1 Pentadecanoic acid, 14-methyl-, octadecyl ester (H3C)2=CH-(CH2)12-COO-(CH2)17-CH3 V-3
5738. 121877-47-2 1 1 1 Pentadecanoic acid, 14-methyl-, tetracosyl ester (H3C)2=CH-(CH2)12-COO-(CH2)23-CH3 V-3
5739. 121877-38-1 1 1 1 Pentadecanoic acid, 14-methyl-, tricosyl ester (H3C)2=CH-(CH2)12-COO-(CH2)22-CH3 V-3
5740. 0 1 0 Pentadecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34- hexatriacontanonaenyl ester
V-3
215
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5741. 71607-96-0 1 0 0 Pentadecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-
V-3
5742. 629-76-5 1 1 1 1-Pentadecanol H3C-(CH2)13-CH2OH II.A-5
5743. 20194-48-3 0 1 0 1-Pentadecanol, 14-methyl- (H3C)2=CH-(CH2)12-CH2OH II.A-5
5744. 2345-28-0 0 1 0 2-Pentadecanone H3C-(CH2)12-CO-CH3 III-13
5745. 502-69-2 1 1 1 2-Pentadecanone, 6,10,14-trimethyl-
{phytone; hexahydrofarnesyl acetone}
H-[CH2-CH(CH3)-CH2-CH2]3-CH2-CO-CH3
III-13
5746. 16825-16-4 0 1 0 2-Pentadecanone, 6,10,14-trimethyl-, [R-(R*,R*)]- III-13
5747. 81345-07-5 1 0 0 3,8,12,14-Pentadecatetraen-2-one, 8,12-dimethyl-5-(1-methylethyl)-, (E,E,E)-
H3C CH3
H3C
CH3
CH3
O
CH2
III-13
5748. 81345-08-6 1 0 0 3,8,12,14-Pentadecatetraen-2-one, 8,12-dimethyl-5-(1-methylethyl)-, (E,Z,E)-
H3C CH3
H3C CH3
OCH3
CH2
III-13
5749. 41429-55-4 0 1 0 3,7,12-Pentadecatriene-2,14-dione, 4,8-dimethyl-11-(1-methylethyl)-, (E,Z,E)-
OO
23
45
6
7
89
1011
13
12
14
III-13
5750. 57760-50-6 0 1 0 3,7,12-Pentadecatriene-2,14-dione, 4,8-dimethyl-11-(1-methylethyl)-, [S-(E,E,E)]-
III-13
5751. 762-29-8 1 1 1 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl- {farnesyl acetone} {3 isomers}
O
CH3
CH3
CH3
CH3H3C
III-13
5752. 1117-52-8 1 1 1 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-
III-13
5753. 27251-68-9 1 1 1 Pentadecene H-(CH2)n-CH=CH-(CH2)(13-n)-H I.B-1
5754. 13360-61-7 1 1 1 1-Pentadecene H3C-(CH2)12-CH=CH2 I.B-1
5755. 1 1 1 1-Pentadecene, 2-methyl- H2C=C(CH3)-(CH2)11-CH3 I.B-1
5756. 1 1 1 2-Pentadecene, (Z)- H3C-CH=CH-(CH2)11-CH3 I.B-1
5757. 1 1 1 2-Pentadecene, (E)- I.B-1
5758. 1 1 1 2-Pentadecene, 2-methyl- H2C=C(CH3)-(CH2)12-CH3 I.B-1
5759. 1 1 1 2-Pentadecene, 13-methyl-, (Z)- H3C-CH=CH-(CH2)9-CH(CH3)-CH2-CH3
I.B-1
5760. 1 1 1 2-Pentadecene, 13-methyl-, (E)- I.B-1
5761. 1 1 1 2-Pentadecene, 14-methyl-, (Z)- H3C-CH=CH-(CH2)10-CH(CH3)2 I.B-1
5762. 1 1 1 2-Pentadecene, 14-methyl-, (E)- I.B-1
216
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5763. 2140-82-1
60976-73-0
1 1 1 1-Pentadecene, 2,6,10,14-tetramethyl-
{norphytene}
H2C=C(CH3)-CH2-{(CH2)2-CH(CH3)-CH2}3-H
I.B-1
5764. 36232-37-8 1 0 0 6-Pentadecene, 2,6,10,14-tetramethyl- (H3C)2CH-(CH2)3-C(CH3)=CH2-{(CH2)2-CH(CH3)-CH2}2-H I.B-1
5765. 26444-04-2 1 1 1 Pentadecenoic acid IV.A-3
5766. 31422-28-3 0 1 0 Pentadecenoic acid, methyl ester V-3
5767. 17351-34-7 0 1 0 14-Pentadecenoic acid IV.A-3
5768. 764-40-9 1 1 1 2,4-Pentadienal H2C=CH-CH=CH-CH=O III-12
5769. 41050-31-1 1 1 1 Pentadiene I.B-1
5770. 1 1 1 Pentadiene, methyl- I.B-1
5771. 591-95-7 1 1 1 1,2-Pentadiene {ethylallene} H3C-CH2-CH=C=CH2 I.B-1
5772. 504-60-9 1 1 1 1,3-Pentadiene {piperylene} H3C-CH=CH-CH=CH2 I.B-1
5773. 2004-70-8 1 1 1 1,3-Pentadiene, (E)- I.B-1
5774. 1574-41-0 1 1 1 1,3-Pentadiene, (Z)- I.B-1
5775. 1118-58-7 1 1 1 1,3-Pentadiene, 2-methyl- H3C-CH=CH-C(CH3)=CH2 I.B-1
5776. 926-56-7 0 1 0 1,3-Pentadiene, 4-methyl- H3C-C(CH3)=CH-CH=CH2 I.B-1
5777. 591-93-5 1 0 0 1,4-Pentadiene H2C=CH-CH2-CH=CH2 I.B-1
5778. 21293-29-8
14375-45-2
0 1 0 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, [S-(Z,E)]-
{abscisic acid}
II.A-5, III-13, IV.A-3
H3C CH3
CH3
COOH
OH
CH3O
5779. 4949-20-6 1 0 0 2,4-Pentadien-1-ol H2C=CH-CH=CH-CH2OH II.A-5
5780. 110-62-3 1 1 1 Pentanal {valeraldehyde} H3C-(CH2)3-CH=O III-12
5781. 1 0 0 Pentanal, methyl- III-12
5782. 123-15-9 1 0 0 Pentanal, 2-methyl- H3C-(CH2)2-CH(CH3)-CH=O III-12
5783. 15877-57-3 1 0 0 Pentanal, 3-methyl- III-12
5784. 1119-16-0 1 0 0 Pentanal, 4-methyl- H3C-CH(CH3)-(CH2)2-CH=O III-12
5785. 7332-93-6 1 0 0 Pentanal, 2-oxo- H3C-(CH2)2-CO-CH=O III-12, III-13
5786. 626-96-0 1 0 0 Pentanal, 4-oxo- H3C-CO-(CH2)2-CH=O III-12, III-13
5787. 626-97-1 1 0 0 Pentanamide {valeramide} H3C-(CH2)3-CO-NH2 XIII-1
5788. 61892-69-1 1 0 0 Pentanamide, 3-methyl- XIII-1
5789. 1119-29-5 1 0 0 Pentanamide, 4-methyl- XIII-1
5790. 54007-33-9 1 0 0 Pentanamide, N-ethyl- H3C-(CH2)3-CO-NH-C2H5 XIII-1
5791. 110-58-7 1 1 1 1-Pentanamine H3C-(CH2)4-NH2 XII-2
5792. 688-31-3 1 0 0 1-Pentanamine, 2-ethyl-N,N-dimethyl- H3C-(CH2)2-CH(C2H5)-CH2-N(CH3)2 XII-2
5793. 625-30-9 1 1 1 2-Pentanamine H3C-(CH2)2-CH(NH2)-CH3 XII-2
5794. 616-24-0 1 0 0 3-Pentanamine (H3C-CH2)2=CH-NH2 XII-2
5795. 109-66-0 1 1 1 Pentane H3C-(CH2)3-CH3 I.A-10
5796. 1067-20-5 1 0 0 Pentane, 3,3-diethyl- I.A-10
5797. 108-08-7 1 0 0 Pentane, 2,4-dimethyl- I.A-10
5798. 43133-95-5 1 0 0 Pentane, methyl- I.A-10
5799. 107-83-5 1 1 1 Pentane, 2-methyl- H3C-(CH2)2-CH=(CH3)2 I.A-10
217
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5800. 96-14-0 1 1 1 Pentane, 3-methyl- (H3C-CH2)2=CH-CH3 I.A-10
5801. 760-21-4 1 0 0 Pentane, 3-methylene- {2-ethyl-1-butene} (H3C-CH2)2=C=CH2 I.B-1
5802. 628-05-7 1 0 0 Pentane, 1-nitro- H3C-(CH2)3-CH2-NO2 XVI-1
5803. 4609-89-6 1 0 0 Pentane, 2-nitro- H3C-(CH2)2-CH(NO2)-CH3 XVI-1
5804. 0 1 0 1,5-Pentanediamide, 2-amino- {glutamine amide} H2N-OC-(CH2)2-CH(NH2)-CO-NH2
XII-2, XIII-1
5805. 462-94-2 0 1 0 1,5-Pentanediamine {cadaverine} H2N-(CH2)5-NH2 XII-2
5806. 110-94-1 1 1 1 Pentanedioic acid {glutaric acid} HOOC-(CH2)3-COOH IV.A-3
5807. 63892-02-4 0 1 0 Pentanedioic acid, 2-(1-methylethyl)-, (S)- HOOC-(CH2)2-CH[CH(CH3)2]-COOH
IV.A-3
5808. 617-62-9 0 1 0 Pentanedioic acid, 2-methyl- HOOC-(CH2)2-CH(CH3)-COOH IV.A-3
5809. 328-50-7 1 1 1 Pentanedioic acid, 2-oxo- {α-ketoglutaric acid} HOOC-(CH2)2-CO-COOH III-13, IV.A-3
5810. 626-51-7 1 0 0 Pentanedioic acid, 3-methyl- HOOC-CH2-CH(CH3)-CH2-COOH IV.A-3
5811. 0 1 0 Pentanedioic acid, 2,3,4-trihydroxy- HOOC-(CHOH)3-COOH II.A-5, IV.A-3
5812. 3174-67-2 1 0 0 1,3-Pentanediol II.A-5
5813. 1 0 0 1,4-Pentanediol, 3-[2-(2-hydroxyethyl)-1,3,3-trimethylcyclohexyl]-
II.A-5
5814. 107-41-5 1 1 1 2,4-Pentanediol, 2-methyl- II.A-5
5815. 52786-29-5 1 0 0 1,4-Pentanedione, 1-(2-furanyl)- III-13
5816. 600-14-6 1 1 1 2,3-Pentanedione H3C-CH2-CO-CO-CH3 III-13
5817. 7493-58-5 1 0 0 2,3-Pentanedione, 4-methyl- H3C-CH(CH3)-CO-CO-CH3 III-13
5818. 123-54-6 0 1 0 2,4-Pentanedione H3C-CO-CH2-CO-CH3 III-13
5819. 110-59-8 1 0 0 Pentanenitrile {valeronitrile} H3C-(CH2)3-CN XI-2
5820. 69975-94-6 1 0 0 Pentanenitrile, 2,4-dimethyl- H3C- CH(CH3)-CH2-CH(CH3)-CN XI-2
5821. 1 0 0 Pentanenitrile, 2-hydroxy- XI-2
5822. 1 0 0 Pentanenitrile, 3-hydroxy-4-methyl- XI-2
5823. 1 0 0 Pentanenitrile, methyl- XI-2
5824. 6339-13-5 1 0 0 Pentanenitrile, 2-methyl- H3C-(CH2)2-CH(CH3)-CN XI-2
5825. 1 0 0 Pentanenitrile, 3-methyl- XI-2
5826. 542-54-1 1 0 0 Pentanenitrile, 4-methyl- (H3C)2=CH(CH2)2-CN XI-2
5827. 927-56-0 1 0 0 Pentanenitrile, 4-oxo- H3C-CO-(CH2)2-CN III-1, XI-2
5828. 110-66-7 1 0 0 1-Pentanethiol H3C-(CH2)4-SH XVIII.A-1
5829. 1 0 0 1,2,5-Pentanetriol, 3-methyl- II.A-5
5830. 109-52-4 1 1 1 Pentanoic acid {valeric acid} H3C-(CH2)3-COOH IV.A-3
5831. 591-68-4 0 1 0 Pentanoic acid, butyl ester V-3
5832. 539-82-2 1 1 1 Pentanoic acid, ethyl ester {ethyl valerate} H3C-(CH2)3-COO-C2H5 V-3
5833. 96937-52-9 1 0 0 Pentanoic acid, hydroxy-methyl- II.A-5, IV.A-3
5834. 27936-41-0 0 1 0 Pentanoic acid, methyl- IV.A-3
5835. 624-24-8 0 1 0 Pentanoic acid, methyl ester {methyl valerate} H3C-(CH2)3-COO-CH3 V-3
5836. 96937-54-1 1 0 0 Pentanoic acid, methyloxo- III-13, IV.A-3
5837. 96937-53-0 1 0 0 Pentanoic acid, oxo- III-13, IV.A-3
5838. 10361-39-4 0 1 0 Pentanoic acid, phenylmethyl ester V-3
218
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5839. 1185-39-3 0 1 0 Pentanoic acid, 2,2-dimethyl- IV.A-3
5840. 20225-24-5 0 1 0 Pentanoic acid, 2-ethyl- IV.A-3
5841. 617-31-2 0 1 0 Pentanoic acid, 2-hydroxy- II.A-5, IV.A-3
5842. 488-15-3 0 1 0 Pentanoic acid, 2-hydroxy-3-methyl- II.A-5, IV.A-3
5843. 498-36-2 0 1 0 Pentanoic acid, 2-hydroxy-4-methyl- II.A-5, IV.A-3
5844. 54031-97-9 0 1 0 Pentanoic acid, 2-hydroxy-4-oxo- II.A-5, IV.A-3
5845. 97-61-0 1 1 1 Pentanoic acid, 2-methyl- {2-methylvaleric acid} IV.A-3
5846. 6641-83-4 1 0 0 Pentanoic acid, 2-methyl-4-oxo- III-13, IV.A-3
5847. 70340-00-0 0 1 0 Pentanoic acid, 2-methylphenyl ester V-3
5848. 6376-59-6 1 0 0 Pentanoic acid, 2-oxo-, methyl ester V-3
5849. 1 1 1 Pentanoic acid, 2,5-di-(methylnitrosoamino)- R-(CH2)3-CH(R)-COOH where R =
H3C-N(NO)- IV.A-3, XII-2, XV-8
5850. 150-96-9 0 1 0 Pentanoic acid, 3-hydroxy-3-methyl- II.A-5, IV.A-3
5851. 5980-21-2 0 1 0 Pentanoic acid, 3-hydroxy-4-methyl- II.A-5, IV.A-3
5852. 105-43-1 1 1 1 Pentanoic acid, 3-methyl-
{β-methylvaleric acid; 3-methylpentanoic acid}
IV.A-3
5853. 5870-68-8 1 1 1 Pentanoic acid, 3-methyl-, ethyl ester V-3
5854. 2177-78-8 1 0 0 Pentanoic acid, 3-methyl-, methyl ester V-3
5855. 6628-79-1 1 0 0 Pentanoic acid, 3-methyl-4-oxo- III-13, IV.A-3
5856. 10191-25-0 0 1 0 Pentanoic acid, 3-oxo- III-13, IV.A-3
5857. 150-97-0 0 1 0 Pentanoic acid, 3,5-dihydroxy-5-methyl- {mevalonic acid}
II.A-5, IV.A-3
5858. 41654-03-9 0 1 0 Pentanoic acid, 4-hydroxy-3-methyl- II.A-5, IV.A-3
5859. 646-07-1 1 1 1 Pentanoic acid, 4-methyl- {isocaproic acid} IV.A-3
5860. 2412-80-8 1 0 0 Pentanoic acid, 4-methyl-, methyl ester V-3
5861. 123-76-2 1 1 1 Pentanoic acid, 4-oxo- {levulinic acid} H3C-CO-(CH2) 2-COOH III-13, IV.A-3
5862. 539-88-8 1 1 1 Pentanoic acid, 4-oxo-, ethyl ester
{ethyl levulinate}
H3C-CO-(CH2) 2-COO-CH2-CH3 III-13, V-3
5863. 624-45-3 1 1 1 Pentanoic acid, 4-oxo-, methyl ester
{methyl levulinate}
H3C-CO-(CH2) 2-COO-CH3 III-13, V-3
5864. 67920-51-8 0 1 0 Pentanoic acid, 5-(acetylamino)-2-hydroxy-, (±)- II.A-5, IV.A-3, XII-2
5865. 63316-30-3 0 1 0 Pentanoic acid, 5-(acetylamino)-2-hydroxy-, (R)- II.A-5, IV.A-3, XII-2
5866. 16814-81-6 0 1 0 Pentanoic acid, 5-amino-2-hydroxy-, (S)- II.A-5, IV.A-3, XII-2
5867. 63316-28-9 0 1 0 Pentanoic acid, 5-amino-3-hydroxy- II.A-5, IV.A-3, XII-2
5868. 106-60-5 0 1 0 Pentanoic acid, 5-amino-4-oxo- H2N-CH2-CO-(CH2)2-COOH
III-13, IV.A-3, XII-2
5869. 0 1 0 Pentanoic acid, 5-hydroxy-3-(1-methylethyl)- II.A-5, IV.A-3
5870. 66274-27-9 1 0 0 Pentanoic acid, 5-hydroxy-4-oxo-, methyl ester II.A-5, III-13, V-3
5871. 1 0 0 Pentanoic acid, 2,3,4,5-tetrahydroxy- HOCH2-(CHOH)3-COOH II.A-5, IV.A-3
5872. 71-41-0 1 1 1 1-Pentanol {amyl alcohol} H3C-(CH2)3-CH2OH II.A-5
5873. 6570-87-2 0 1 0 1-Pentanol, 3,4-dimethyl- II.A-5
5874. 0 1 0 1-Pentanol, 2-methyl- II.A-5
5875. 589-35-5 0 1 0 1-Pentanol, 3-methyl- II.A-5
219
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5876. 626-89-1 0 1 0 1-Pentanol, 4-methyl- II.A-5
5877. 590-36-3 0 1 0 2-Pentanol, 2-methyl- II.A-5
5878. 108-11-2 1 1 1 2-Pentanol, 4-methyl- II.A-5
5879. 584-02-1 0 1 0 3-Pentanol (H3C-CH2)2=CHOH II.A-5
5880. 77-74-7 1 0 0 3-Pentanol, 3-methyl- II.A-5
5881. 1 0 0 3-Pentanol, 1-phenyl- II.A-5
5882. 27154-67-2 1 0 0 Pentanone III-13
5883. 63072-44-6 0 1 0 Pentanone, methyl- III-13
5884. 1009-14-9 1 0 0 1-Pentanone, 1-phenyl- H3C-(CH2)3-CO-C6H5 III-13
5885. 107-87-9 1 1 1 2-Pentanone H3C-(CH2)2-CO-CH3 III-13
5886. 1 0 0 2-Pentanone, 1-hydroxy- H3C-(CH2)2-CO-CH2OH II.A-5, III-13
5887. 4161-60-8 1 1 1 2-Pentanone, 4-hydroxy- H3C-CHOH-CH2-CO-CH3 II.A-5, III-13
5888. 123-42-2 1 1 1 2-Pentanone, 4-hydroxy-4-methyl- {diacetone alcohol}
(H3C)2=C(OH)-CH2-CO-CH3 II.A-5, III-13
5889. 565-61-7 1 0 0 2-Pentanone, 3-methyl- H3C-CH2-CH(CH3)-CO-CH3 III-13
5890. 108-10-1 1 1 1 2-Pentanone, 4-methyl- (H3C)2=CH-CH2-CO-CH3 III-13
5891. 5349-62-2 0 1 0 2-Pentanone, 4-methyl-1-phenyl- III-13
5892. 5185-97-7 0 1 0 2-Pentanone, 5-(acetyloxy)- H3C-COO-(CH2)3-CO-CH3 III-13, V-3
5893. 1567-93-7 1 0 0 2-Pentanone, 5-hydroxy-3-methyl- HOCH2-CH2-CH(CH3)-CO-CH3
II.A-5, III-13
5894. 66309-84-0 1 0 0 2-Pentanone, 5-hydroxy-4-methyl- HOCH2-CH(CH3)-CH2-CO-CH3
II.A-5, III-13
5895. 96-22-0 1 1 1 3-Pentanone H3C-CH2-CO-CH2-CH3 III-13
5896. 565-80-0 1 0 0 3-Pentanone, 2,4-dimethyl- (H3C)2=CH-CO-CH=(CH3)2 III-13
5897. 1 0 0 3-Pentanone, 1-(methylthio)- III-13, XVIII.A-1
5898. 565-69-5 1 1 1 3-Pentanone, 2-methyl- (H3C)2=CH-CO-CH2-CH3 III-13
5899. 222-93-5 1 0 0 Pentaphene
{dibenzo[b,j]phenanthrene; 2,3,6,7-dibenzophenanethrene}
I.E-6
5900. 488-31-3 0 1 0 Pentaric acid IV.A-3
5901. 320-77-4 0 1 0 Pentaric acid, 3-carboxy-2,3-dideoxy- IV.A-3
5902. 630-07-9 1 1 1 Pentatriacontane H3C-(CH2)33-CH3 I.A-10
5903. 0 1 0 Pentatriacontane, 2-methyl- H3C-CH(CH3)-(CH2)32-CH3 I.A-10
5904. 78692-70-3 0 1 0 Pentatriacontane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)31-CH3 I.A-10
5905. 21978-49-4 1 1 1 5,9,13,17,21,25,29,33-Pentatriacontaoctaen-2-one, 6,10,14,18,22,26,30,34-octamethyl-, (all-E)-
III-13
5906. 34786-54-4 0 1 0 1,5,9,13,17,21,25,29,33-Pentatriacontanonaene, 2,6,10,14,18,22, 26,30,34-nonamethyl-
{norsolanesene}
I.B-1
5907. 31424-04-1 1 0 0 Pentenal III-12
5908. 764-39-6 0 1 0 2-Pentenal H3C-CH2-CH=CH-CH=O III-12
5909. 1 0 0 2-Pentenal, 2,3-dimethyl- III-12
220
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5910. 1 0 0 2-Pentenal, 2,4-dimethyl- III-12
5911. 623-36-9 1 0 0 2-Pentenal, 2-methyl- III-12
5912. 1 1 1 2-Pentenal, 4-methyl- III-12
5913. 5604-55-7 0 1 0 3-Pentenal III-12
5914. 1 0 0 4-Pentenal, 2-methyl- III-12
5915. 3973-43-1 1 0 0 4-Pentenal, 4-methyl- III-12
5916. 15856-96-9 1 0 0 2-Pentenamide H3C-CH2-CH=CH-CO-NH2 XIII-1
5917. 61892-67-9 1 0 0 2-Pentenamide, N-methyl- XIII-1
5918. 70265-05-3 1 0 0 3-Pentenamide, 4-methyl- XIII-1
5919. 22537-07-1 1 0 0 4-Penten-1-amine H2C=CH-(CH2)3-NH2 XII-2
5920. 1 0 0 Pentene I.B-1
5921. 1 0 0 Pentene, methyl- I.B-1
5922. 109-67-1 1 0 0 1-Pentene H3C-(CH2)2-CH=CH2 I.B-1
5923. 3404-73-7 1 0 0 1-Pentene, 3,3-dimethyl- H3C-CH2-C(CH3)2-CH=CH2 I.B-1
5924. 763-29-1 1 0 0 1-Pentene, 2-methyl- H3C-(CH2)2-C(CH3)=CH2 I.B-1
5925. 760-20-3 1 0 0 1-Pentene, 3-methyl- H3C-CH2-CH(CH3)-CH=CH2 I.B-1
5926. 691-37-2 1 0 0 1-Pentene, 4-methyl- (H3C)2=CH-CH2-CH=CH2 I.B-1
5927. 109-68-2 1 1 1 2-Pentene H3C-CH2-CH=CH-CH3 I.B-1
5928. 646-04-8 1 0 0 2-Pentene, (E)- I.B-1
5929. 627-20-3 1 0 0 2-Pentene, (Z)- I.B-1
5930. 625-27-4 1 0 0 2-Pentene, 2-methyl- H3C-CH2-CH=C=(CH3)2 I.B-1
5931. 922-61-2 1 0 0 2-Pentene, 3-methyl- (Z) H3C-CH2-C(CH3)=CH-CH3 I.B-1
5932. 616-12-6 1 0 0 2-Pentene, 3-methyl-, (E)- I.B-1
5933. 4461-48-7 1 0 0 2-Pentene, 4-methyl- H3C-CH(CH3)-CH=CH-CH3 I.B-1
5934. 674-76-0 1 0 0 2-Pentene, 4-methyl-, (E)- I.B-1
5935. 691-38-3 1 0 0 2-Pentene, 4-methyl-, (Z)- I.B-1
5936. 1724-02-3 0 1 0 2-Pentenedioic acid {glutaconic acid} HOOC-CH2-CH=CH-COOH IV.A-3
5937. 5164-76-1 0 1 0 2-Pentenedioic acid, dimethyl ester V-3
5938. 101758-45-6 0 1 0 2-Pentene-1,4-diol, 5-(decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1- naphthalenyl)-3-methyl-,
[1α(3E,4S*),2β,4a
II.A-5
5939. 91238-45-8 1 0 0 4-Pentene-2,3-dione III-13
5940. 592-51-8 1 0 0 4-Pentenenitrile XI-2
5941. 27516-53-6 1 0 0 Pentenoic acid IV.A-3
5942. 626-98-2 1 1 1 2-Pentenoic acid H3C-CH2-CH=CH-COOH IV.A-3
5943. 3142-72-1 1 1 1 2-Pentenoic acid, 2-methyl- H3C-CH2-CH=C(CH3)-COOH IV.A-3
5944. 3675-21-6 0 1 0 2-Pentenoic acid, 3-methyl- H3C-CH2-C(CH3)=CH-COOH IV.A-3
5945. 0 1 0 2-Pentenoic acid, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-
IV.A-3
5946. 10321-71-8 0 1 0 2-Pentenoic acid, 4-methyl- H3C-CH(CH3)-CH=CH-COOH IV.A-3
5947. 1617-32-9 1 0 0 3-Pentenoic acid, (E)- IV.A-3
5948. 33698-87-2 1 0 0 3-Pentenoic acid, (Z)- IV.A-3
221
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5949. 16313-37-4 0 1 0 3-Pentenoic acid, 3-methyl- IV.A-3
5950. 41653-93-4 0 1 0 3-Pentenoic acid, 3-methyl-, (E)- IV.A-3
5951. 504-85-8 0 1 0 3-Pentenoic acid, 4-methyl- IV.A-3
5952. 591-80-0 1 1 1 4-Pentenoic acid H2C=CH-(CH2)2-COOH IV.A-3
5953. 16386-93-9 0 1 0 4-Pentenoic acid, 2,2-dimethyl- IV.A-3
5954. 1575-74-2 0 1 0 4-Pentenoic acid, 2-methyl- II.A-5
5955. 616-25-1 1 1 1 1-Penten-3-ol II.A-5
5956. 2088-07-5 1 1 1 1-Penten-3-ol, 2-methyl- II.A-5
5957. 0 1 0 2-Penten-1-ol, (Z) H3C-CH2-CH=CH-CH2OH II.A-5
5958. 87563-33-5 0 1 0 2-Penten-1-ol, 3-methyl-5-(1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)-,
[1S-[1α(E),4aβ,8aα]]-
II.A-5
5959. 87585-55-5 0 1 0 2-Penten-1-ol, 3-methyl-5-(3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)-,
[4aS-[1(E),4aα,8aβ]]-
II.A-5
5960. 0 1 0 3-Penten-1-ol, 4-methyl- II.A-5
5961. 4325-82-0 1 0 0 3-Penten-2-ol, 4-methyl- II.A-5
5962. 60026-13-3 0 1 0 4-Penten-2-ol, 5-(tetrahydro-2-methyl-2-furanyl)- II.A-5, X-2
5963. 1629-58-9 1 1 1 1-Penten-3-one H3C-CH2-CO-CH=CH2 III-13
5964. 3712-68-8 0 1 0 1-Penten-3-one, 2,4-dimethyl- III-13
5965. 0 1 0 1-Penten-3-one, 1-(4-methoxyphenyl)- III-13, X-2
5966. 25044-01-3 1 0 0 1-Penten-3-one, 2-methyl- H3C-CH2-CO-C(CH3)=CH2 III-13
5967. 1 0 0 2-Penten-4-one, 2,3-dimethyl- (H3C)2=C=C(CH3)-CO-CH3 III-13
5968. 625-33-2 1 1 1 3-Penten-2-one H3C-CH=CH-CO-CH3 III-13
5969. 3102-33-8 0 1 0 3-Penten-2-one, (E) III-13
5970. 1118-66-7 1 0 0 3-Penten-2-one, 4-amino- H3C-C(NH2)=CH-CO-CH3 III-13, XII-2
5971. 565-62-8 1 0 0 3-Penten-2-one, 3-methyl- H3C-CH=C(CH3)-CO-CH3 III-13
5972. 141-79-7 1 1 1 3-Penten-2-one, 4-methyl- {mesityl oxide} (H3C)2=C=CH-CO-CH3 III-13
5973. 13891-87-7 1 0 0 4-Penten-2-one H2C=CH-CH2-CO-CH3 III-13
5974. 127-42-4 0 1 0 4-Penten-3-one, 5-(2,6,6-trimethyl-2-cyclohexen-1-
yl)- {methyl-α-ionone}
III-13
5975. 72692-98-9 1 0 0 Pentitol, 2,3-dideoxy-3-methyl- II.A-5
5976. 61989-60-4 1 0 0 Pentonic acid, 2,3-anhydro-, γ-lactone VI-3
5977. 491-14-5 1 0 0 Pentonic acid, 5-C-[3,5-bis(1-methylpropyl)-1-cyclopenten-1-yl]-4-deoxy-
II.A-5, VI-3
5978. 9473-19-9 1 1 1 D-erythro-Pentonic acid, 3-deoxy-, γ-lactone VI-3
5979. 5803-57-6 1 0 0 Pentonic acid, 5-deoxy-, γ-lactone VI-3
5980. 533-67-5 0 1 0 D-erythro-Pentose, 2-deoxy- {deoxyribose}
O
OH
HO
OH
II.A-5
5981. 1 0 0 Pentoxyl radical OC5CH11 XXVII-1
5982. 488-84-6 0 1 0 D-erythro-2-Pentulose = D-Ribulose {xylulose} HOCH2-CO-(CHOH)2-CH2OH II.A-5
5983. 24218-00-6 0 1 0 D-erythro-2-Pentulose, 1,5-bis(dihydrogen phosphate)
II.A-5
222
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
5984. 627-21-4 1 0 0 2-Pentyne H3C-C≡C-CH2-CH3
5985. 9031-96-3 0 1 0 Peptidase XXII-2
5986. 9003-99-0 0 1 0 Peroxidase XXII-2
5987. 72906-87-7 0 1 0 Peroxidase, ascorbate XXII-2
5988. 0 1 0 Peroxidase, glutathione XXII-2
5989. 198-55-0 1 0 0 Perylene
I.E-6
5990. 1 0 0 Perylene, alkyl- I.E-6
5991. 64760-19-6 1 0 0 Perylene, dimethyl- I.E-6
5992. 64031-91-0 1 0 0 Perylene, methyl- {at least 2 isomers in MSS} I.E-6
5993. 24471-47-4 1 0 0 Perylene, 3-methyl- I.E-6
5994. 518-85-4 1 0 0 1H-Phenalen-1-one, 2,3-dihydro- 1
23
O
III-13
5995. 4176-53-8 1 0 0 1-Phenanthrenamine NH2
1
2
3456
7
8
9 10
XII-2
5996. 3366-65-2 1 0 0 2-Phenanthrenamine XII-2
5997. 1892-54-2 1 0 0 3-Phenanthrenamine XII-2
5998. 17423-48-2 1 0 0 4-Phenanthrenamine XII-2
5999. 947-73-9 1 0 0 9-Phenanthrenamine XII-2
6000. 85-01-8 1 0 0 Phenanthrene
I.E-6
6001. 1 0 0 Phenanthrene, alkyl- I.E-6
6002. 20851-90-5 1 0 0 Phenanthrene, 3,6-dichloro- XVIII.B-3
6003. 1 0 0 Phenanthrene, dihydro- I.E-6
6004. 776-35-2 1 0 0 Phenanthrene, 9,10-dihydro- I.E-6
6005. 71607-56-2 1 0 0 Phenanthrene, dihydrobis(methylene)- I.E-6
6006. 29062-98-4 1 0 0 Phenanthrene, dimethyl- I.E-6
6007. 20291-72-9 1 0 0 Phenanthrene, 1,2-dimethyl- I.E-6
6008. 22349-59-3 1 0 0 Phenanthrene, 1,4-dimethyl- I.E-6
6009. 20291-74-1 1 0 0 Phenanthrene, 1,6-dimethyl- I.E-6
6010. 483-87-4 1 0 0 Phenanthrene, 1,7-dimethyl- I.E-6
6011. 7372-87-4 1 0 0 Phenanthrene, 1,8-dimethyl- I.E-6
6012. 3674-66-6 1 0 0 Phenanthrene, 2,5-dimethyl- I.E-6
6013. 17980-16-4 1 0 0 Phenanthrene, 2,6-dimethyl- I.E-6
6014. 1576-69-8 1 0 0 Phenanthrene, 2,7-dimethyl- I.E-6
6015. 1576-67-6 1 0 0 Phenanthrene, 3,6-dimethyl- I.E-6
223
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6016. 3674-69-9 1 0 0 Phenanthrene, 4,5-dimethyl- I.E-6
6017. 1 0 0 Phenanthrene, dimethylene- I.E-6
6018. 71607-65-3 1 0 0 Phenanthrene, dimethylethyl- I.E-6
6019. 30997-38-7 1 0 0 Phenanthrene, ethyl- I.E-6
6020. 71607-66-4 1 0 0 Phenanthrene, ethylmethyl- I.E-6
6021. 71607-67-5 1 0 0 Phenanthrene, hexamethyl- I.E-6
6022. 61128-87-8 1 0 0 Phenanthrene, methoxy- X-2
6023. 31711-53-2 1 1 1 Phenanthrene, methyl- I.E-6
6024. 832-69-9 1 0 0 Phenanthrene, 1-methyl- I.E-6
6025. 2531-84-2 1 0 0 Phenanthrene, 2-methyl- I.E-6
6026. 832-71-3 1 0 0 Phenanthrene, 3-methyl- I.E-6
6027. 832-64-4 1 0 0 Phenanthrene, 4-methyl- I.E-6
6028. 883-20-5 1 0 0 Phenanthrene, 9-methyl- I.E-6
6029. 1 0 0 Phenanthrene, 1-methyl-5-(1-methylethyl)- I.E-6
6030. 71607-68-6 1 0 0 Phenanthrene, pentamethyl- I.E-6
6031. 71607-69-7 1 0 0 Phenanthrene, propyl- I.E-6
6032. 71607-70-0 1 0 0 Phenanthrene, tetramethyl- {at least 5 isomers in MSS}
I.E-6
6033. 30232-26-9 1 0 0 Phenanthrene, trimethyl- {at least 3 isomers in MSS}
I.E-6
6034. 84-11-7 1 0 0 9,10-Phenanthrenedione
{phenanthrenequinone; phenanthraquinone}
O
O
IX.B-2
6035. 111924-41-5 0 1 0 1,2,8-Phenanthrenetriol, tetradecahydro-8,10a-dimethyl-4-methylene-5-(1-methylethyl)- 1
2
34
56
7
8
910
OH
OH
CH2
H3C
H3C
HO
CH3
H3C
II.A-5
6036. 229-87-8 1 1 1 Phenanthridine
N
XVII.E-6
6037. 108-95-2 1 1 1 Phenol OH
2
35
6
4
IX.A-22
6038. 1 0 0 Phenol, C2-alkyl- IX.A-22
6039. 1 0 0 Phenol, C3-alkyl- IX.A-22
6040. 1 0 0 Phenol, C4-alkyl- IX.A-22
6041. 1 0 0 Phenol, C5-alkyl- IX.A-22
6042. 1 0 0 Phenol, C2-alkyl-ethenyl- {2 isomers} IX.A-22
6043. 1 0 0 Phenol, C4-alkyl-ethenyl- IX.A-22
6044. 1 0 0 Phenol, C5-alkyl-ethenyl- IX.A-22
224
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6045. 1 0 0 Phenol, alkyl-dimethoxy- IX.A-22, X-2
6046. 1 0 0 Phenol, diethyl- IX.A-22
6047. 1 0 0 Phenol, dimethoxy- IX.A-22, X-2
6048. 1 0 0 Phenol, dimethoxy-4-ethenyl- IX.A-22, X-2
6049. 1300-71-6 1 1 1 Phenol, dimethyl- {xylenol} IX.A-22
6050. 1 0 0 Phenol, dimethyl-ethenyl- IX.A-22
6051. 1 0 0 Phenol, dimethyl-4-ethenyl- IX.A-22
6052. 50984-45-7 1 0 0 Phenol, dimethyl-ethenyl-ethyl- IX.A-22
6053. 1 0 0 Phenol, dimethyl-ethenyl-2-methoxy- IX.A-22, X-2
6054. 27178-34-3 1 0 0 Phenol, (1,1-dimethylethyl)- IX.A-22
6055. 1329-97-1 1 0 0 Phenol, dimethyl-methoxy- IX.A-22, X-2
6056. 1 0 0 Phenol, dimethyl-2-methoxy- IX.A-22, X-2
6057. 1 0 0 Phenol, dimethyl-4-methoxy- IX.A-22, X-2
6058. 1 0 0 Phenol, dimethyl-2-nitro- IX.A-22, XVI-1
6059. 31257-96-2 1 0 0 Phenol, ethenyl- IX.A-22
6060. 50851-69-9 1 0 0 Phenol, ethenyl-ethyl- IX.A-22
6061. 1 0 0 Phenol, ethenyl-ethyl-methyl- IX.A-22
6062. 1 0 0 Phenol, ethenyl-2-methoxy-trimethyl- IX.A-22
6063. 73850-05-2 1 0 0 Phenol, ethenyl-methyl- IX.A-22
6064. 73850-13-2 1 0 0 Phenol, ethenyl-trimethyl- IX.A-22
6065. 25429-37-2 1 0 0 Phenol, ethyl- IX.A-22
6066. 80652-16-0 1 0 0 Phenol, ethyl-methoxy- IX.A-22, X-2
6067. 1 0 0 Phenol, ethyl-2-methoxy- IX.A-22, X-2
6068. 30230-52-5 1 0 0 Phenol, ethyl-methyl- IX.A-22
6069. 1 0 0 Phenol, ethyl-methyl-nitro- IX.A-22, XVI-1
6070. 1 0 0 Phenol, ethyl-nitro- IX.A-22, XVI-1
6071. 26638-03-9 1 0 0 Phenol, methoxy- IX.A-22, X-2
6072. 32391-38-1 1 0 0 Phenol, methoxy-methyl- IX.A-22, X-2
6073. 1319-77-3 1 1 1 Phenol, methyl- {cresol} IX.A-22
6074. 12167-20-3 1 0 0 Phenol, methyl-nitro- IX.A-22, XVI-1
6075. 1 0 0 Phenol, methylpropylenyl- IX.A-22
6076. 1 0 0 Phenol, methyl-propyl- IX.A-22
6077. 1 0 0 Phenol, propenyl- IX.A-22
6078. 1 0 0 Phenol, propyl- IX.A-22
6079. 66586-93-4 1 0 0 Phenol, tetramethyl- IX.A-22
6080. 26998-80-1 1 0 0 Phenol, trimethyl- IX.A-22
6081. 3180-09-4 1 0 0 Phenol, 2-butyl- IX.A-22
6082. 95-57-8 1 0 0 Phenol, 2-chloro- IX.A-22, XVIII.B-3
6083. 3743-22-4 1 0 0 Phenol, 2-(dimethylamino)- IX.A-22, XII-2
6084. 88-18-6 1 0 0 Phenol, 2-(1,1-dimethylethyl)- IX.A-22
6085. 695-84-1 1 0 0 Phenol, 2-ethenyl- IX.A-22
225
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6086. 120550-69-8 1 0 0 Phenol, 2-ethenyl-6-methoxy- IX.A-22, X-2
6087. 135295-09-9 1 0 0 Phenol, 2-ethenyl-6-methyl- IX.A-22
6088. 94-86-0 0 1 0 Phenol, 2-ethoxy-5-propenyl-
{5-propenylguaethol}
IX.A-22, X-2
6089. 90-00-6 1 0 0 Phenol, 2-ethyl- IX.A-22
6090. 1 0 0 Phenol, 2-ethyl-4-methoxy- IX.A-22, X-2
6091. 90534-46-6 1 0 0 Phenol, 2-ethyl-6-methoxy- IX.A-22, X-2
6092. 6161-62-2 1 0 0 Phenol, 2-ethyl-3-methyl- IX.A-22
6093. 3855-26-3 1 0 0 Phenol, 2-ethyl-4-methyl- IX.A-22
6094. 1687-61-2 1 0 0 Phenol, 2-ethyl-5-methyl- IX.A-22
6095. 1687-64-5 1 0 0 Phenol, 2-ethyl-6-methyl- IX.A-22
6096. 71607-97-1 1 0 0 Phenol, 2-ethyl-3-nitro- IX.A-22, XVI-1
6097. 1 0 0 Phenol, 2-ethyl-4-nitro- IX.A-22, XVI-1
6098. 90-05-1 1 1 1 Phenol, 2-methoxy- {guaiacol} IX.A-22, X-2
6099. 60825-46-9 1 0 0 Phenol-14
C6, 2-methoxy-, labeled with 14
C IX.A-22, X-2
6100. 1 0 0 Phenol, 2-methoxy-methyl- IX.A-22, X-2
6101. 18102-31-3 1 0 0 Phenol, 2-methoxy-3-methyl- IX.A-22, X-2
6102. 53587-16-9 1 0 0 Phenol, 2-methoxy-4-(1-methylethyl)- IX.A-22, X-2
6103. 97-54-1 1 1 1 Phenol, 2-methoxy-4-(1-propenyl)- {isoeugenol} IX.A-22, X-2
6104. 5932-68-3 1 1 1 Phenol, 2-methoxy-4-(1-propenyl)-, (E)- {trans-isoeugenol}
IX.A-22, X-2
6105. 5912-86-7 1 1 1 Phenol, 2-methoxy-4-(1-propenyl)-, (Z)- {cis-isoeugenol}
IX.A-22, X-2
6106. 97-53-0 1 1 1 Phenol, 2-methoxy-4-(2-propenyl)- {eugenol} IX.A-22, X-2
6107. 93-15-2 1 0 0 Phenol, 2-methoxy-methyl-4-(2-propenyl)- {eugenol, methyl-}
IX.A-22, X-2
6108. 2896-66-4 1 0 0 Phenol, 2-methoxy-4,6-dimethyl- IX.A-22, X-2
6109. 93-51-6 1 1 1 Phenol, 2-methoxy-4-methyl- {4-methylguaiacol} IX.A-22, X-2
6110. 2785-87-7 1 1 1 Phenol, 2-methoxy-4-propyl- IX.A-22, X-2
6111. 19784-98-6 1 0 0 Phenol, 2-methoxy-5-(1-propenyl)-, (E)- IX.A-22, X-2
6112. 1195-09-1 1 1 1 Phenol, 2-methoxy-5-methyl- IX.A-22, X-2
6113. 58539-27-8 1 0 0 Phenol, 2-methoxy-5-propyl- IX.A-22, X-2
6114. 29275-83-0 1 0 0 Phenol, 2-methoxy-6-(1-propenyl)-, (E)- IX.A-22, X-2
6115. 29275-82-9 1 0 0 Phenol, 2-methoxy-6-(1-propenyl)-, (Z)- IX.A-22, X-2
6116. 2896-67-5 1 0 0 Phenol, 2-methoxy-6-methyl- IX.A-22, X-2
6117. 32073-24-8 1 0 0 Phenol, 2-methoxy-propyl- IX.A-22, X-2
6118. 1 0 0 Phenol, 2-methoxy-trimethyl- IX.A-22, X-2
6119. 95-48-7 1 1 1 Phenol, 2-methyl- {o-cresol} IX.A-22
6120. 70-30-4 1 0 0 Phenol, 2,2'-methylenebis[3,4,6-trichloro- IX.A-22, XVIII.B-3
6121. 114-26-1 0 1 0 Phenol, 2-(1-methylethoxy)-, methylcarbamate {Undene®; Propoxur®}
OOC-NH-CH3
O-CH(CH3)2
V-3, X-2, XXI-3
6122. 88-69-7 1 1 1 Phenol, 2-(1-methylethyl)- {2-isopropylphenol} IX.A-22
226
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6123. 1740-97-2 1 0 0 Phenol, 2-methyl-4-(1-methylethyl)- IX.A-22
6124. 499-75-2 1 1 1 Phenol, 2-methyl-5-(1-methylethyl)- {carvacrol} IX.A-22
6125. 1 0 0 Phenol, 2-methyl-(2-methylpropyl)- IX.A-22
6126. 99-53-6 1 0 0 Phenol, 2-methyl-4-nitro- IX.A-22, XVI-1
6127. 3520-52-3 1 0 0 Phenol, 2-methyl-6-propyl- IX.A-22
6128. 89-72-5 1 0 0 Phenol, 2-(1-methylpropyl)- IX.A-22
6129. 1 0 0 Phenol, 2-(1-propenyl)- IX.A-22
6130. 1745-81-9 1 0 0 Phenol, 2-(2-propenyl)- IX.A-22
6131. 4167-75-3 1 0 0 Phenol, 2-(2-methylpropyl)- IX.A-22
6132. 88-75-5 1 0 0 Phenol, 2-nitro- IX.A-22, XVI-1
6133. 1 0 0 Phenol, 2-phenoxy- IX.A-22, X-2
6134. 1745-81-9 1 0 0 Phenol, 2-propenyl- IX.A-22
6135. 644-35-9 1 0 0 Phenol, 2-propyl- IX.A-22
6136. 591-27-5 1 0 0 Phenol, 3-amino- IX.A-22, X-2
6137. 108-43-0 1 0 0 Phenol, 3-chloro- IX.A-22, XVIII.B-3
6138. 585-34-2 1 0 0 Phenol, 3-(1,1-dimethylethyl)- IX.A-22
6139. 88-32-4 1 0 0 Phenol, 3-(1,1-dimethyethyl)-4-methoxy- IX.A-22, X-2
6140. 618-45-1 1 0 0 Phenol, 3-(1-methylethyl)- IX.A-22
6141. 79755-53-6 1 0 0 Phenol, 3-(1-propenyl)- IX.A-22
6142. 620-18-8 1 0 0 Phenol, 3-ethenyl- IX.A-22
6143. 1 0 0 Phenol, 3-ethenyl-methyl- IX.A-22
6144. 66164-30-5 1 0 0 Phenol, 3-ethenyl-4-methyl- IX.A-22
6145. 621-34-1 1 0 0 Phenol, 3-ethoxy- IX.A-22, X-2
6146. 620-17-7 1 1 1 Phenol, 3-ethyl- IX.A-22
6147. 1123-73-5 1 0 0 Phenol, 3-ethyl-2-methyl- IX.A-22
6148. 6161-67-7 1 0 0 Phenol, 3-ethyl-4-methyl- IX.A-22
6149. 698-71-5 1 1 1 Phenol, 3-ethyl-5-methyl- IX.A-22
6150. 150-19-6 1 1 1 Phenol, 3-methoxy- IX.A-22, X-2
6151. 5451-83-2 1 0 0 Phenol, 3-methoxy-, acetate V-3, X-2
6152. 108-39-4 1 0 0 Phenol, 3-methyl- {m-cresol} IX.A-22
6153. 4920-77-8 1 0 0 Phenol, 3-methyl-2-nitro- IX.A-22, XVI-1
6154. 2581-34-2 1 0 0 Phenol, 3-methyl-4-nitro- IX.A-22, XVI-1
6155. 554-84-7 1 0 0 Phenol, 3-nitro- IX.A-22, XVI-1
6156. 713-68-8 1 0 0 Phenol, 3-phenoxy- IX.A-22, X-2
6157. 621-27-2 1 0 0 Phenol, 3-propyl- IX.A-22
6158. 98-54-4 1 1 1 Phenol, 4-(1,1-dimethylethyl)- IX.A-22
6159. 99-89-8 1 1 1 Phenol, 4-(1-methylethyl)- IX.A-22
6160. 99-71-8 1 0 0 Phenol, 4-(1-methylpropyl)- IX.A-22
6161. 51-67-2 1 1 1 Phenol, 4-(2-aminoethyl)- {tyramine} IX.A-22, X-2
6162. 501-92-8 1 0 0 Phenol, 4-(2-propenyl)- IX.A-22
6163. 0 1 0 Phenol, 4-(3-hydroxy-1-propenyl)- {coumaryl alcohol}
II.A-5, IX.A-22
227
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6164. 537-33-7 0 1 0 Phenol, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxy- {sinapyl alcohol}
IX.A-22, X-2
6165. 458-35-5 1 1 1 Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy- {coniferyl alcohol}
IX.A-22, X-2
6166. 32811-40-8 0 1 0 Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-, (E)- IX.A-22, X-2
6167. 69056-21-9 0 1 0 Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-, (Z)- IX.A-22, X-2
6168. 101-53-1 1 0 0 Phenol, 4-(phenylmethyl)- IX.A-22
6169. 59832-96-1 1 0 0 Phenol, 4-butyl-2-methoxy- IX.A-22, X-2
6170. 2628-17-3 1 1 1 Phenol, 4-ethenyl- IX.A-22
6171. 1 0 0 Phenol, 4-ethenyl-2-ethyl- IX.A-22
6172. 7786-61-0 1 1 1 Phenol, 4-ethenyl-2-methoxy- {4-vinylguaiacol} IX.A-22, X-2
6173. 45803-83-6 1 0 0 Phenol, 4-ethenyl-2-methyl- IX.A-22
6174. 123-07-9 1 1 1 Phenol, 4-ethyl- {p-ethylphenol} IX.A-22
6175. 2785-89-9 1 1 1 Phenol, 4-ethyl-2-methoxy- {ethyguaiacol} IX.A-22, X-2
6176. 120550-71-2 1 0 0 Phenol, 4-ethyl-2-methoxy-5-methyl- IX.A-22, X-2
6177. 120550-70-1 1 0 0 Phenol, 4-ethyl-2-methoxy-6-methyl- IX.A-22, X-2
6178. 2219-73-0 1 0 0 Phenol, 4-ethyl-2-methyl- IX.A-22
6179. 1123-94-0 1 0 0 Phenol, 4-ethyl-3-methyl- IX.A-22
6180. 71607-98-2 1 0 0 Phenol, 4-ethyl-3-nitro- IX.A-22, XVI-1
6181. 150-76-5 1 1 1 Phenol, 4-methoxy- IX.A-22, X-2
6182. 106-44-5 1 1 1 Phenol, 4-methyl- {p-cresol} IX.A-22
6183. 4427-56-9 1 0 0 Phenol, 4-methyl-2-(1-methylethyl)- IX.A-22
6184. 119-33-5 1 0 0 Phenol, 4-methyl-2-nitro- IX.A-22, XVI-1
6185. 2042-14-0 1 0 0 Phenol, 4-methyl-3-nitro- IX.A-22, XVI-1
6186. 4074-46-8 1 0 0 Phenol, 4-methyl-2-propyl- IX.A-22
6187. 100-02-7 1 0 0 Phenol, 4-nitro- IX.A-22, XVI-1
6188. 1 0 0 Phenol, 4-phenoxy- IX.A-22, X-2
6189. 1988-89-2 0 1 0 Phenol, 4-(1phenylethyl)- IX.A-22
6190. 1 0 0 Phenol, 4-phenylmethyl- IX.A-22
6191. 6380-21-8 1 0 0 Phenol, 4-propenyl- IX.A-22
6192. 645-56-7 1 0 0 Phenol, 4-propyl- IX.A-22
6193. 2785-88-8 1 0 0 Phenol, 5-ethyl-2-methoxy- IX.A-22, X-2
6194. 71278-12-1 1 0 0 Phenol, 5-ethyl-2-methyl-4-nitro-
{phenol, 3-ethyl-6-methyl-4-nitro-}
IX.A-22, XVI-1
6195. 89-83-8 1 0 0 Phenol, 5-methyl-2-(1-methylethyl)- {thymol} IX.A-22
6196. 5150-42-5 1 0 0 Phenol, 2,3-dimethoxy- IX.A-22, X-2
6197. 20578-97-6 1 1 1 Phenol, 2,3-dimethoxy-4-ethyl- IX.A-22, X-2
6198. 526-75-0 1 1 1 Phenol, 2,3-dimethyl- {2,3-xylenol} IX.A-22
6199. 18441-55-9 1 0 0 Phenol, 2,3-dimethyl-6-ethyl- IX.A-22
6200. 34883-01-7 1 1 1 Phenol, 2,3-dimethyl-5-methoxy- IX.A-22, X-2
6201. 6665-95-8 1 0 0 Phenol, 2,3-dimethyl-6-nitro-
{phenol, 5,6-dimethyl-2-nitro-}
IX.A-22, XVI-1
228
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6202. 105-67-9 1 1 1 Phenol, 2,4-dimethyl- {2,4-xylenol} IX.A-22
6203. 1 0 0 Phenol, 2,4-dimethyl-6-ethyl- IX.A-22
6204. 95-87-4 1 1 1 Phenol, 2,5-dimethyl- {2,5-xylenol} IX.A-22
6205. 1 0 0 Phenol, 2,5-dimethyl-6-nitro- IX.A-22, XVI-1
6206. 1006-59-3 1 0 0 Phenol, 2,6-diethyl- IX.A-22
6207. 4130-42-1 1 1 1 Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- IX.A-22
6208. 128-37-0 1 1 1 Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl- {BHT} IX.A-22
6209. 91-10-1 1 1 1 Phenol, 2,6-dimethoxy- {syringol} IX.A-22, X-2
6210. 1 0 0 Phenol, 2,6-dimethoxy-ethenyl- IX.A-22, X-2
6211. 28343-22-8 1 1 1 Phenol, 2,6-dimethoxy-4-ethenyl- IX.A-22, X-2
6212. 14059-92-8 1 1 1 Phenol, 2,6-dimethoxy-4-ethyl- IX.A-22, X-2
6213. 6638-05-7 1 1 1 Phenol, 2,6-dimethoxy-4-methyl- IX.A-22, X-2
6214. 20675-95-0 1 1 1 Phenol, 2,6-dimethoxy-4-(1-propenyl)-, (E)- IX.A-22, X-2
6215. 26624-13-5 1 1 1 Phenol, 2,6-dimethoxy-4-(1-propenyl)-, (Z)- IX.A-22, X-2
6216. 6627-88-9 1 1 1 Phenol, 2,6-dimethoxy-4-(2-propenyl)- IX.A-22, X-2
6217. 576-26-1 1 1 1 Phenol, 2,6-dimethyl- {2,6-xylenol} IX.A-22
6218. 71526-64-2 1 0 0 Phenol, 2,6-dimethyl-4-ethenyl- IX.A-22
6219. 10570-69-1 1 0 0 Phenol, 2,6-dimethyl-4-ethyl- IX.A-22
6220. 0 1 0 Phenol, 2,6-dimethyl-4-(2-propenyl)- IX.A-22
6221. 2033-89-8 1 0 0 Phenol, 3,4-dimethoxy- IX.A-22, X-2
6222. 95-65-8 1 1 1 Phenol, 3,4-dimethyl- {3,4-xylenol} IX.A-22
6223. 500-99-2 1 1 1 Phenol, 3,5-dimethoxy- IX.A-22, X-2
6224. 108-68-9 1 1 1 Phenol, 3,5-dimethyl- {3,5-xylenol} IX.A-22
6225. 2785-85-5 1 0 0 Phenol, 3,5-dimethyl-2-methoxy- IX.A-22, X-2
6226. 71608-10-1 1 0 0 Phenol, 3,6-dimethyl-2-nitro-
{phenol, 2,5-dimethyl-6-nitro-}
IX.A-22, XVI-1
6227. 72312-07-3 0 1 0 Phenol, 4,5-dimethoxy-2-methyl- IX.A-22, X-2
6228. 7771-25-7 1 0 0 Phenol, 4,5-dimethyl-2-methoxy- IX.A-22, X-2
6229. 2219-79-6 1 0 0 Phenol, 4,6-dimethyl-2-ethyl- IX.A-22
6230. 2896-66-4 1 0 0 Phenol, 4,6-dimethyl-2-methoxy- IX.A-22, X-2
6231. 123844-48-4 1 0 0 Phenol, 5,6-dimethyl-2-methoxy- IX.A-22, X-2
6232. 3238-38-8 1 0 0 Phenol, 2,3,4,6-tetramethyl- IX.A-22
6233. 527-35-5 1 1 1 Phenol, 2,3,5,6-tetramethyl- {durenol} IX.A-22
6234. 526-85-2 1 1 1 Phenol, 2,3,4-trimethyl- IX.A-22
6235. 697-82-5 1 0 0 Phenol, 2,3,5-trimethyl- {isopseudocumenol} IX.A-22
6236. 2416-94-6 1 0 0 Phenol, 2,3,6-trimethyl- IX.A-22
6237. 496-78-6 1 0 0 Phenol, 2,4,5-trimethyl- {pseudocumenol} IX.A-22
6238. 118-79-6 0 1 0 Phenol, 2,4,6-tribromo- IX.A-22, XVIII.B-3, XXI-3
6239. 527-60-6 1 1 1 Phenol, 2,4,6-trimethyl- {mesitol} IX.A-22
6240. 527-54-8 1 0 0 Phenol, 3,4,5-trimethyl- IX.A-22
6241. 732-26-3 1 1 1 Phenol, 2,4,6-tris(1,1-dimethylethyl)- IX.A-22
229
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6242. 63-91-2 1 1 1 L-Phenylalanine C6H5-CH2-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
6243. 31105-03-0 0 1 0 L-Phenylalanine, N-(1-deoxy-D-fructos-1-yl)- II.A-5, IV.A-3, IV.B-7, XII-2
6244. 51064-37-0 0 1 0 Phenylalanine, ar,ar-dihydroxy- IV.A-3, IV.B-7, XII-2, IX.A-22
6245. 21609-90-5 0 1 0 Phenylphosphonothioic acid, O-(4-bromo-2,5-dichlorophenyl)-, O-methyl ester {Phosvel®}
XVIII.A-1, XVIII.B-3, XXI-3
O
P
SH3CO Cl
Br
Cl
6246. 24861-47-0 0 1 0 Phorbine XVII.A-4
6247. 20239-99-0 0 1 0 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-
oxo-, [3S- (3α,4β,21β)]-
IV.A-3, XVII.A-4
6248. 3147-18-0 0 1 0 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester,
[3S-[3α(2E,7S*,11S*),4β,21β]]-
V-3, XVII.A-4
6249. 15664-29-6 0 1 0 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,
[3S-(3α,4β,21β)]-
IV.A-3, XVII.A-4
6250. 603-17-8 0 1 0 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [3S-
[3α(2E,7S*,11S*),4β,21β]]-
V-3, XVII.A-4
6251. 9013-05-2 0 1 0 Phosphatase XXII-2
6252. 122319-88-4 0 1 0 Phosphatase, 2-carboxyarabinitol 1- XXII-2
6253. 9001-77-8 0 1 0 Phosphatase, acid XXII-2
6254. 9000-83-3 0 1 0 Phosphatase, adenosine tri- XXII-2
6255. 134632-85-2 0 1 0 Phosphatase, adenosine tri- (Petunia hybrida strain 3704 mitochondria subunit 9)
XXII-2
6256. 9001-78-9 0 1 0 Phosphatase, alkaline XXII-2
6257. 9001-52-9 0 1 0 Phosphatase, fructose di- XXII-2
6258. 9001-39-2 0 1 0 Phosphatase, glucose 6- XXII-2
6259. 69669-68-7 0 1 0 Phosphatase, glucose di- XXII-2
6260. 9027-69-4 0 1 0 Phosphatase, nucleoside di- XXII-2
6261. 9075-51-8 0 1 0 Phosphatase, nucleoside tri- XXII-2
6262. 9055-30-5 0 1 0 Phosphatase, phosphoglycerate XXII-2
6263. 9025-76-7 0 1 0 Phosphatase, phosphoglycolate XXII-2
6264. 52227-92-6 0 1 0 Phosphatase, phosphorylcholine XXII-2
6265. 37341-58-5 0 1 0 Phosphatase, phytate XXII-2
6266. 9059-33-0 0 1 0 Phosphatase, sucrose XXII-2
6267. 14265-44-2 1 1 1 Phosphate PO4-3 XX-5
6268. 300-76-5 0 1 0 Phosphate, 1,2-dibromo-2,2-dichloroethyl dimethyl {Naled®}
XVIII.B-3, XXI-3
6269. 14066-20-7 0 1 0 Phosphate, dihydrogen H2PO4-1 XX-5
6270. 0 1 0 Phosphate, monohydrogen HPO4-2 XX-5
230
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6271. 20859-73-8 0 1 0 Phosphide, aluminum Al≡P XX-6, XXI-3
6272. 12057-74-8 0 1 0 Phosphide, magnesium Mg3P2 XX-6, XXI-3
6273. 7803-51-2 1 1 1 Phosphine PH3 XX-6, XXI-3
6274. 115-26-4 0 1 0 Phosphine oxide, bis(dimethylamino)fluoro- {Dimefox®}
XVIII.B-3, XXI-3
P O
N(CH3)2
N(CH3)2
F
6275. 9036-21-9 0 1 0 Phosphodiesterase, adenosine cyclic 3',5'-phosphate
XXII-2
6276. 39434-01-0 0 1 0 Phosphodiesterase, nucleotide XXII-2
6277. 12712-31-1 0 1 0 Phosphodoxin XXII-2
6278. 9001-81-4 0 1 0 Phosphomutase, glucose XXII-2
6279. 16672-87-0 0 1 0 Phosphonic acid, 2-chloroethyl- {Ethephon®; Ethrel®} Cl-(CH2)2-P
OH
OH
O
XVIII.B-3, XXI-3
6280. 52-68-6 0 1 0 Phosphonic acid, 2,2,2-trichloromethyl-1-hydroxyethyl-, dimethyl ester
{Trichlorphon®; Dylox®, Dipterex®}
P
H3CO
H3CO O
CHOH
CCl3
V-3, XVIII.B-3, XXI-3
6281. 98886-44-3 0 1 0 Phosphonodithioic acid, O-ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)- {Fosthiazate®}
XVIII.A-1, XXI-3
6282. 944-22-9 0 1 0 Phosphonodithioic acid, ethyl-, O-ethyl S-phenyl ester {Fonofos®} P
OC2H5
S-C6H5
H5C2
S
XVIII.A-1, XXI-3
6283. 22224-92-6 0 1 0 Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester {Fenamiphos®; Nemacur®}
V-3, XVIII.A-1, XXI-3
6284. 30560-19-1 0 1 0 Phosphoramidothioic acid, N-acetyl-, O,S-dimethyl ester {Orthene®; Acephate®}
V-3, XVIII.A-1, XXI-3
6285. 10265-92-6 0 1 0 Phosphoramidothioic acid O,S-dimethyl ester {Methamidophos®}
V-3, XVIII.A-1, XXI-3
6286. 25311-71-1 0 1 0 Phosphoramidothioic acid, O-ethyl O-2-(1-methylethyl)carbonylphenyl-, (1-methylethyl) ester {Isofenphos®}
XXI-3
6287. 9030-26-6 0 1 0 Phosphoribosyltransferase, nicotinate XXII-2
6288. 7664-38-2 0 1 0 Phosphoric acid XX-6
6289. 7757-93-9 0 1 0 Phosphoric acid, calcium salt (1:1) XX-6
6290. 470-90-6 0 1 0 Phosphoric acid, 2-chloro-1-(2-dichlorophenyl)ethenyl-, diethyl ester {Chlorfenvivphos®; Birlane®}
V-3, XVIII.B-3, XXI-3
P
H5C2O
H5C2O O
O
CHCl
Cl
Cl
231
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6291. 13171-21-6 0 1 0 Phosphoric acid, 2-chloro-3-(diethylamino-1-methyl-3-oxo-1-propenyl)-, dimethyl ester
{Phosphamidon®}
V-3, XVIII.B-3, XXI-3
P
H3CO
H3CO O
O
CH3
C
Cl
O
NOC2H5
OC2H5
6292. 22248-79-9 0 1 0 Phosphoric acid, 2-chloro-1-(2,4,5-trichlrophenyl)ethenyl-, dimethyl ester {DDVP; Tetrachlorvinphos®}
V-3, XVIII.B-3, XXI-3
P
O
O
H3CO
H3CO
CHCl
Cl Cl
Cl
6293. 7783-28-0 0 1 0 Phosphoric acid, diammonium salt XX-6
6294. 62-73-7 0 1 0 Phosphoric acid, 2,2,-dichloroethenyl-, dimethyl ester {DDVP; Dichlorvos®}
V-3, XVIII.B-3, XXI-3
P
H3CO
H3CO O
O CH=CCl
Cl
6295. 141-66-2 0 1 0 Phosphoric acid, 3-(dimethylamino-1-methyl-3-oxo-1-propenyl)-, dimethyl ester {Dicrotophos®}
V-3, XXI-3
P
H3CO
H3CO O
O
CH3
CH C
O
N=(CH3)2
6296. 7757-86-0 0 1 0 Phosphoric acid, magnesium salt XX-6
6297. 7778-53-2 0 1 0 Phosphoric acid, tripotassium salt XX-6
6298. 1754-58-1 1 1 1 Phosphorodiamidic acid, N,N'-dimethyl-, phenyl ester {Diamidafos®}
V-3, XXI-3
C6H5-O-P
O
NH-CH3
NH-CH3
6299. 13194-48-4 0 1 0 Phosphorodithioic acid, O-ethyl-S,S, dipropyl ester
{Mocap®, Ethoprop®, Prophos®, Rovokil®,
Ethoprophos®}
V-3, XVIII.A-1, XXI-3
P
S
S
(CH2)2-CH3
(CH2)2-CH3H3C-CH2-O
O
6300. 2497-06-5 0 1 0 Phosphorodithioic acid, O,O-diethyl S-[2-(ethylsulfonyl)ethyl] ester
(Thiodemeton sulfone®)
V-3, XVIII.A-1, XXI-3
6301. 298-04-4 1 1 1 Phosphorodithioic acid, O,O-diethyl S-[2-(ethylthio)ethyl] ester {Disulfoton®}
V-3, XVIII.A-1, XXI-3
PH3CO
CH3O
S
S
S CH3
6302. 298-02-2 0 1 0 Phosphorodithioic acid, O,O-diethyl S-[2-(ethylthio)methyl] ester {Phorate®}
V-3, XVIII.A-1, XXI-3
PH3CO
CH3O
S
SS CH3
6303. 301-12-2 0 1 0 Phosphorodithioic acid, O,O-dimethyl S-[2-(ethylsulfinyl)ethyl] ester
{Oxydemeton methyl®}
XXI-3
H3C-CH2-S
(CH2)2-S
P
O O OCH3
OCH3
232
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6304. 640-15-3 0 1 0 Phosphorodithioic acid, O,O-dimethyl S-[2-(ethylthio)ethyl] ester {Thiometon®}
XVIII.A-1, XXI-3
6305. 950-37-8 0 1 0 Phosphorodithioic acid, O,O-dimethyl-S-2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl ester
{Supracide®; Methidathion®}
V-3, XVIII.A-1, XXI-3 O
S
O
N
N
S
OCH3
OCH3
PS
H3C
6306. 2597-03-7 0 1 0 Phosphorodithioic acid, O,O-dimethyl- S-(α-ethoxycarbonylbenzyl) ester {Fenthoate®; Phenthoate®}
V-3, XVIII.A-1, XXI-3
P
S
SH3CO
H3CO
CH
COOC2H5
6307. 60-51-5 0 1 0 Phosphorodithioic acid, O,O-dimethyl-S-[2-methylamino)-2-oxoethyl] ester {Dimethoate®}
V-3, XVIII.A-1, XXI-3
PH3CO
CH3O
S
S
O
NH
CH3
6308. 2642-71-9 0 1 0 Phosphorodithioic acid, O,O-diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester {Azinphos Ethyl®}
V-3, XVIII.A-1, XXI-3
6309. 86-50-0 1 1 1 Phosphorodithioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester
{Guthion®; Azinphos-Methyl®}
V-3, XVIII.A-1, XXI-3
O
N
NN
CH2-S-P-OCH3
S
OCH3
6310. 298-04-4 0 1 0 Phosphorodithioic acid, O,O-diethyl S-(2-(ethylthio)ethyl) ester {Disulfoton®}
V-3, XVIII.A-1, XXI-3
6311. 2310-17-0 0 1 0 Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester {Phosalone®}
V-3, XVIII.A-1, XVIII.B-3, XXI-3
O
N
Cl
O
P
S
S
H5C2O
H5C2O
6312. 2540-82-1 0 1 0 Phosphorodithioic acid, S-[2-formylmethylamino)-2-oxoethyl] O,O-dimethyl ester {Formothion®}
V-3, XVIII.A-1, XXI-3
P
H3CO
H3CO S
S-CH2-CO-N-CH=O
CH3
6313. 41198-08-7 0 1 0 Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl-S-propyl ester {Profenophos®}
V-3, XVIII.A-1, XXVIII.B-3, XXI-3
6314. 14816-18-3 0 1 0 Phosphorothioic acid, O,O-diethyl O-(α-cyanobenzylideneamino)- {Phoxim®}
V-3, XI-2, XVIII.A-1, XXI-3 CN
N P
S
(O-C2H5)2
6315. 2921-88-2 1 1 1 Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester {Chlorpyriphos®; Dursban®}
V-3, XVII.B-2, XVIII.A-1, XXVIII.B-3, XXI-3
O
P
SH3CO
H3CO
Cl
Cl
Cl
N
6316. 13071-79-9 0 1 0 Phosphorodithioic acid, O,O-diethyl S-[(1,1-dimethylethyl)thio]methyl ester {Terbuphos®}
V-3, XVIII.A-1, XXI-3
233
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6317. 115-90-2 0 1 0 Phosphorothioic acid, O,O-diethyl O-[4-(methylsulfinyl)phenyl] ester {Fensulfothion®}
V-3, XVIII.A-1, XXI-3
6318. 56-38-2 0 1 0 Phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester {Parathion®}
V-3, XVI-1, XVIII.A-1, XXI-3
O
P
S
NO2
H5C2O
H5C2O
6319. 297-97-2 0 1 0 Phosphorothioic acid, O,O-diethyl O-pyrazinyl ester {Thionazine®, Zinophos®}
V-3, XVII.B-2, XVIII.A-1, XXI-3
N
N
OP S
(OC2H5)2
6320. 298-00-0 0 1 0 Phosphorothioic acid, O,O-dimethyl O-(4-nitrophenyl) ester {Parathion-methyl®}
V-3, XVI-1, XVIII.A-1, XXI-3
O
P
S
NO2
H3CO
H3CO
6321. 299-84-3 0 1 0 Phosphorothioic acid, O,O-dimethyl O-(2,4,5-trichlorophenyl) ester
{Fenchlorphos®; Phenchlorphos®}
V-3, XVIII.A-1, XXI-3
O
P
SH3CO
H3CO
Cl
Cl
Cl
6322. 2104-96-3 0 1 0 Phosphorothioic acid, O,O-dimethyl O-(4-bromo-2,5-dichlorophenyl) ester {Bromophos®}
V-3, XVIII.A-1, XXI-3
O
P
SH3CO
H3CO
Cl
Br
Cl
6323. 333-41-5 0 1 0 Phosphorothioic acid, O,O-diethyl O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester {Diazinon®}
V-3, XVII.B-2, XVIII.A-1, XXI-3
6324. 24017-47-8 0 1 0 Phosphorothioic acid, O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) ester {Triazophos®}
V-3, XVIII.A-1, XXI-3
6325. 919-86-8 0 1 0 Phosphorothioic acid, O,O-dimethyl S-[2-(ethylthio)ethyl] ester {Demeton-S-methyl®}
V-3, XVIII.A-1, XXI-3
6326. 961-22-8 0 1 0 Phosphorothioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl) methyl] ester
V-3, XVIII.A-1, XXI-3 O
N
NN
CH2-S-P-OCH3
O
OCH3
6327. 20300-00-9 0 1 0 Phosphorothioic acid, O,O-dimethyl S-[2-[[1-methyl-2-(methylamino)-2-oxoethyl]sulfinyl]ethyl] ester
V-3, XVIII.A-1, XXI-3
6328. 2275-23-2 0 1 0 Phosphorothioic acid, O,O-dimethyl S-[2-[[1-methyl-2-(methylamino)-2-oxoethyl]thio]ethyl] ester {Vamidothion®}
V-3, XVIII.A-1, XXI-3
6329. 70898-34-9 0 1 0 Phosphorothioic acid, O,O dimethyl S-[2-[[1-methyl-2-(methylamino)-2-oxoethyl]sulfonyl]ethyl] ester
V-3, XVIII.A-1, XXI-3
6330. 122-14-5 0 1 0 Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-nitrophenyl) ester {Fenitrothion®}
V-3, XVI-1, XVIII.A-1, XXI-3
6331. 55-38-9 0 1 0 Phosphorothioic acid, O,O-dimethyl O-(4-methylthio)-3-methylphenyl ester {Fenthion®}
V-3, XVIII.A-1, XXI-3
6332. 29232-93-7 0 1 0 Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester
{Pirimiphos-methyl®}
V-3, XVII.B-2, XVIII.A-1, XXI-3
6333. 7723-14-0 1 1 1 Phosphorus P XX-5
6334. 1314-56-3 0 1 0 Phosphorus oxide P2O5 XX-6
234
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6335. 14596-37-3 0 1 0 Phosphorus, isotope of mass 32 32
P XX-5
6336. 9035-74-9 0 1 0 Phosphorylase XXII-2
6337. 9032-10-4 0 1 0 Phosphorylase a XXII-2
6338. 9030-28-8 0 1 0 Phosphorylase, guanosine XXII-2
6339. 0 1 0 Phosphorylase, polynucleotide XXII-2
6340. 71010-49-6 1 1 1 Phytadiene C I.B-1
6341. 0 1 0 Phytodienes I.B-1
6342. 37297-20-4 0 1 0 Phytoalexins XXII-2
6343. 0 1 0 Phytuberin V-3, XXII-2
6344. 213-46-7 1 0 0 Picene {benzo[a]chrysene}
I.E-6
6345. 30283-95-5 0 1 0 Picene, methyl- I.E-6
6346. 106-58-1 1 0 0 Piperazine, 1,4-dimethyl- XVII.B-2
6347. 106-55-8 1 0 0 Piperazine, 2,5-dimethyl- XVII.B-2
6348. 109-01-3 1 0 0 Piperazine, 1-methyl- XVII.B-2
6349. 109-07-9 1 0 0 Piperazine, 2-methyl- XVII.B-2
6350. 106-57-0 1 0 0 2,5-Piperazinedione XVII.B-2
6351. 14771-77-8 1 0 0 2,5-Piperazinedione, 3-(1-methylethyl)- XVII.B-2, XVII.C-1
6352. 61892-78-2 1 0 0 2,5-Piperazinedione, 3-(2-propenyl)- XVII.B-2, XVII.C-1
6353. 5625-46-7 1 0 0 2,5-Piperazinedione, 3,6-dimethyl- XVII.B-2, XVII.C-1
6354. 5625-53-6 1 0 0 2,5-Piperazinedione, 3-methyl- XVII.B-2, XVII.C-1
6355. 4526-77-6 1 0 0 2,5-Piperazinedione, 3-methyl-, (S)- XVII.B-2, XVII.C-1
6356. 110-89-4 1 1 1 Piperidine {azacyclohexane} NH
XVII.B-2
6357. 3350-86-5 0 1 0 Piperidine, 1-acetyl-2-(3-pyridinyl)-, (S)- XVII.B-6
6358. 1 0 0 Piperidine, C2-alkyl- XVII.B-2
6359. 1 0 0 Piperidine, C3-alkyl- XVII.B-2
6360. 1 0 0 Piperidine, C4-alkyl)- XVII.B-2
6361. 23513-39-5 1 0 0 Piperidine, 2,3-dimethyl-, cis- XVII.B-2
6362. 19683-91-1 1 0 0 Piperidine, 2,4-dimethyl-, cis- XVII.B-2
6363. 504-03-0 1 0 0 Piperidine, 2,6-dimethyl- XVII.B-2
6364. 17721-95-8 1 0 0 Piperidine, 2.6-dimethyl-1-nitroso- XV-8, XVII.B-2
6365. 0 1 0 Piperidine, 2,4-di(3-pyridinyl)- {anatalline}
N
N
NH
XVII.B-6
6366. 1484-80-6 1 0 0 Piperidine, 2-ethyl- XVII.B-2
6367. 1 0 0 Piperidine, 2-ethyl-1-nitroso- XV-8, XVII.B-2
6368. 626-67-5 0 1 0 Piperidine, 1-methyl- XVII.B-2
235
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6369. 626-56-2 1 0 0 Piperidine, 3-methyl- XVII.B-2
6370. 13603-07-1 1 0 0 Piperidine, 3-methyl-1-nitroso- XV-8, XVII.B-2
6371. 1 0 0 Piperidine, 4-methyl-1-nitroso- XV-8, XVII.B-2
6372. 71607-72-2 1 0 0 Piperidine, (1-methylethyl)- XVII.B-2
6373. 100-75-4 1 1 1 Piperidine, 1-nitroso- {NPIP}
XV-8, XVII.B-2
6374. 96552-69-1 1 0 0 Piperidine, 1-(1-oxooctyl)-2-(3-pyridinyl)-, (S)- XVII.B-6
6375. 62783-95-3 1 0 0 Piperidine, 1-(1-oxopentyl)-2-(3-pyridinyl)-, (S)- XVII.B-6
6376. 77-10-1 1 0 0 Piperidine, 1-(1-phenylcyclohexyl)- XVII.B-2
6377. 1 0 0 Piperidine, 1-(3-pyridinemethyl)-2-cyano-4,5-didehydro-
XVII.B-6
6378. 1 0 0 Piperidine, 1-(3-pyridinemethyl)-2-cyano- XVII.B-6
6379. 71635-28-4 0 1 0 1-Piperidinecarboxaldehyde, 2-(3-pyridinyl)-, (S)- III-12, XVII.B-6
6380. 13406-98-9 0 1 0 1-Piperidinecarboxylic acid IV.A-3, XVII.B-2
6381. 56078-09-2 1 0 0 1-Piperidinecarboxylic acid, 2-(3-pyridinyl)-, methyl ester, (S)-
V-3, XVII.B-6
N
N COO-CH3
6382. 0 1 0 2-Piperidineacetic acid, 1-nitroso- {NPIPAC} IV.A-3, XV-8, XVII.B-2
6383. 535-75-1 0 1 0 2-Piperidinecarboxylic acid {pipecolic acid} IV.A-3, XVII.B-2
6384. 4515-18-8 1 1 1 2-Piperidinecarboxylic acid, 1-nitroso-
{N-nitrosopipecolic acid: NPIC}
IV.A-3, XV-8, XVII.B-2
6385. 65445-62-7 0 1 0 3-Piperidinecarboxylic acid, 1-nitroso- IV.A-3, XV-8, XVII.B-2
6386. 6238-69-3 0 1 0 4-Piperidinecarboxylic acid, 1-nitroso- IV.A-3, XV-8, XVII.B-2
6387. 1121-89-7 1 0 0 2,6-Piperidinedione {glutarimide}
0O NH
12
34
XIV-1, XVII.B-2
6388. 1 0 0 2,6-Piperidinedione, methoxy- X-2, XIV-1, XVII.B-2
6389. 61892-70-4 1 0 0 2,6-Piperidinedione, 4-methoxy- X-2, XIV-1, XVII.B-2
6390. 72692-70-7 1 0 0 2,6-Piperidinedione, methyl- XIV-1, XVII.B-2
6391. 29553-51-3 1 0 0 2,6-Piperidinedione, 3-methyl- XIV-1, XVII.B-2
6392. 25077-26-3 1 0 0 2,6-Piperidinedione, 4-methyl- XIV-1, XVII.B-2
6393. 27154-43-4 1 0 0 Piperidinone XIV-1, XVII.B-2
6394. 675-20-7 1 1 1 2-Piperidinone {5-pentanelactam}
O
NH
XVII.B-2, XVII.C-1
6395. 61891-65-4 1 0 0 2-Piperidinone, methyl- XVII.B-2, XVII.C-1
6396. 931-20-4 1 1 1 2-Piperidinone, 1-methyl- XVII.B-2, XVII.C-1
6397. 4775-98-8 1 0 0 2-Piperidinone, 6-methyl- XVII.B-2, XVII.C-1
236
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6398. 13200-35-6 1 0 0 4-Piperidinone, 2,6-dimethyl-, cis-
O NH
CH3
CH3
III-13, XVII.B-2
6399. 69135-98-4 1 0 0 4-Piperidinone, 2,6-dimethyl-, trans- III-13, XVII.B-2
6400. 3311-23-7 1 0 0 4-Piperidinone, 2,2,6-trimethyl-, (R)- III-13, XVII.B-2
6401. 0 1 0 Plastochromenol {solanachromene isomer} IX.A-22
6402. 0 1 0 Plastoquinol IX.B-2
6403. 11005-16-6 0 1 0 Plastoquinone C IX.B-2
6404. 12778-15-3 0 1 0 Plastoquinone D IX.B-2
6405. 4299-57-4 0 1 0 Plastoquinone 9 IX.B-2 O
O
[ ]7H3C
H3C
CH3 CH3 CH3
CH3
6406. 7440-06-4 0 1 0 Platinum Pt XX-5
6407. 13981-16-3 0 1 0 Plutonium, isotope of mass 238 238
Pu XX-5
6408. 15117-48-3 1 1 1 Plutonium, isotope of mass 239 239
Pu XX-5
6409. 14119-33-6 1 1 1 Plutonium, isotope of mass 240 240
Pu XX-5
6410. 7440-08-6 1 1 1 Polonium Po XX-5
6411. 13981-52-7 1 1 1 Polonium, isotope of mass 210 210
Po XX-5
6412. 25322-68-3 0 1 0 Poly(oxy-1,2-ethanediyl), α-hydro-ω-hydroxy- II.A-5
6413. 9032-75-1 0 1 0 Polygalacturonase XXII-2
6414. 152415-56-0 0 1 0 Polygalacturonase (tobacco clone G27.1/G27.2 gene Npg1 precursor reduced)
XXII-2
6415. 0 1 0 Polymerase, nucleic acid deoxyribo XXII-2
6416. 0 1 0 Polyphenoloxidase XXII-2
6417. 0 1 0 Poly(U)polymerase XXII-2
6418. 159965-71-6 0 1 0 Polyubiquitin (Nicotiana tabacum clone Ubi.U4 gene Ubi.U4)
XXII-2
6419. 101-60-0 1 1 1 21H,23H-Porphine {porphyrin}
N
N N
N
H
H
XVII.A-4
6420. 644-00-8 1 0 0 21H,23H-Porphine-2-propanoic acid, 8,13-diethyl-3,7,12,17-tetramethyl-
IV.A-3, XVII.A-4
6421. 1976-85-8 0 1 0 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-
IV.A-3, XVII.A-4
6422. 9055-40-7 0 1 0 Porphobilinogenase XXII-2
6423. 7440-09-7 1 1 1 Potassium K XX-5
6424. 13966-00-2 1 1 1 Potassium, isotope of mass 40 40
K XX-5
6425. 14378-21-3 0 1 0 Potassium, isotope of mass 42 42
K XX-5
6426. 7447-40-7 1 1 1 Potassium chloride KCl XX-6
237
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6427. 12136-45-7 0 1 0 Potassium oxide K2O XX-6
6428. 24203-36-9 1 0 0 Potassium, ion K+1
XX-5
6429. 7440-10-0 1 1 1 Praseodymium Pr XX-5
6430. 57-83-0 0 1 0 Pregn-4-ene-3,20-dione III-13
6431. 145-13-1 0 1 0 Pregn-5-en-20-one, 3-hydroxy-, (3β)- II.A-5, III-13
6432. 32378-60-2 0 1 0 Pregnan-20-one, 3-[(1-oxohexadecyl)oxy]-, (3β,5α)- III-13
6433. 147-85-3 1 1 1 L-Proline IV.A-3, IV.B-7, XVII.A-4
NH
COOH
6434. 147427-29-0 0 1 0 L-Proline, 1-[1-[1-(1-L-seryl-L-prolyl)-L-prolyl]-L-prolyl]-
IV.A-3, IV.B-7, XVII.A-4
6435. 18610-59-8 0 1 0 L-Proline, 1-hydroxy- IV.A-3, IV.B-7, XVII.A-4
6436. 7519-36-0 1 1 1 L-Proline, 1-nitroso- {NPRO} IV.A-3, IV.B-7, XV-8, XVII.A-4
NCOOH
NO
6437. 1 1 1 L-Proline, 1-nitroso-, methyl ester V-3, XV-8, XVII.A-4
COO-CH3N
NO
6438. 62137-28-4 0 1 0 L-Proline, 4-[(O-β-L-arabinofuranosyl-(1→2)-O-β-L-
arabinofuranosyl-(1→2)-β-L-arabinofuranosyl)oxy]-, trans-
II.A-5, IV.A-3, IV.B-7, XVII.A-4
6439. 62137-29-5 0 1 0 L-Proline, 4-[(O-β-L-arabinofuranosyl-(1→3)-O-β-L-
arabinofuranosyl-(1→2)-O-β-L-arabinofuranosyl-
(1→2)-β-L-arabinofuranosyl)oxy]-, trans-
II.A-5, IV.A-3, IV.B-7, XVII.A-4
6440. 51-35-4 0 1 0 L-Proline, 4-hydroxy-, trans- II.A-5, XVII.A-4
6441. 30310-80-6 0 1 0 L-Proline, 4-hydroxy-1-nitroso-, trans- {NHPRO} II.A-5, XV-8, XVII.A-4
6442. 463-49-0 1 0 0 1,2-Propadiene {allene} H2C=C=CH2 I.B-1
6443. 123-38-6 1 1 1 Propanal {propionaldehyde} H3C-CH2-CH=O III-12
6444. 630-19-3 1 0 0 Propanal, 2,2-dimethyl- {pivalaldehyde} (H3C)3≡C-CH=O III-12
6445. 367-47-5 1 1 1 Propanal, 2,3-dihydroxy- {glyceraldehyde} HOCH2-CH2OH-CH=O II.A-5, III-12
6446. 142-10-9 0 1 0 Propanal, 2,3-dihydroxy-, 3-phosphate II.A-5, III-12
6447. 78-84-2 1 1 1 Propanal, 2-methyl- {isobutyraldehyde} (H3C)2=CH-CH=O III-12
6448. 1646-87-3 0 1 0 Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime
{Aldicarb Sulfoxide®}
III-12, XVIII.A-1, XXI-3
6449. 1646-88-4 0 1 0 Propanal, 2-methyl-2-(methylsulfonyl)-, O-[(methylamino)carbonyl]oxime {Aldoxycarb®}
III-12, XVIII.A-1, XXI-3
O
NH
SOO
N
O
238
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6450. 116-06-3 0 1 0 Propanal, 2-methyl-2-(methylthio)-, O-[(methylamino)carbonyl]oxime {Aldicarb®}
III-12, XVIII.A-1, XXI-3
SNH
O
N
O
6451. 0 1 0 Propanal, 3-(nitrosomethylamino)- H3C-N(NO)-(CH2)2-CHO III-12, XV-8
6452. 78-98-8 1 1 1 Propanal, 2-oxo- {pyruvaldehyde; methylglyoxal} H3C-CO-CH=O III-12, III-13
6453. 0 1 0 Propanal, 2-oxo-3-hydroxy- {reductone} HOCH2-CO-CH=O II.A-5, III-12, III-13
6454. 3268-49-3 1 1 1 Propanal, 3-(methylthio)- {methional} III-12, XVIII.A-1
6455. 79-05-0 1 0 0 Propanamide H3C-CH2-CO-NH2 XIII-1
6456. 7324-05-2 0 1 0 Propanamide, 2-amino-, (S)- H3C-CH(NH2)-CO-NH2 XII-2, XIII-1
6457. 563-83-7 1 0 0 Propanamide, 2-methyl- (H3C)2=CH-CO-NH2 XIII-1
6458. 631-66-3 1 0 0 Propanamide, 2-oxo- {pyruvamide} H3C-CO-CO-NH2 III-3, XIII-1
6459. 61892-68-0 1 0 0 Propanamide, 3-cyano- NC-CH2-CH2-CO-NH2 XI-2, XIII-1
6460. 15299-99-7 0 1 0 Propanamide, diethyl-2-(1-naphthyloxy)- {Devrinol®; (Napropamide®}
XIII-1, XXI-3
O-CH(CH3)-CO-N=(C2H5)2
6461. 2675-88-9 1 0 0 Propanamide, N,2-dimethyl- H3C-CH(CH3)-CO-NH-CH3 XIII-1
6462. 35256-85-0 0 1 0 Propanamide, dimethyl-N-(1-methylethyl)-N-(phenylmethyl) {Butam®}
XIII-1, XXI-3
NCH(CH3)2
C-C(CH3)3O=
6463. 5129-72-6 1 0 0 Propanamide, N-ethyl- H3C-CH2-CO-NH-CH2-CH3 XIII-1
6464. 1187-58-2 1 0 0 Propanamide, N-methyl- H3C-CH2-CO-NH-CH3 XIII-1
6465. 25457-49-2 1 0 0 Propanamide, N-methyl-N-(1-oxopropyl)- XIII-1
6466. 107-10-8 1 1 1 1-Propanamine H3C-(CH2)2-NH2 XII-2
6467. 5813-64-9 1 0 0 1-Propanamine, 2,2-dimethyl- H3C-C(CH3)2CH2-NH2 XII-2
6468. 625-43-4 1 1 1 1-Propanamine, N,2-dimethyl- H3C-CH(CH3)CH2-NH-CH3 XII-2
6469. 34419-76-6
2504-18-9
1 0 0 1-Propanamine, N,2-dimethyl-N-nitroso- H3C-CH(CH3)CH2-N(NO)-CH3 XII-2, XV-8
6470. 71607-99-3 1 1 1 1-Propanamine, N-ethyl-2-methyl-N-nitroso- H3C-CH(CH3)CH2-N(NO)-CH2CH3 XV-8
6471. 25413-61-0 1 1 1 1-Propanamine, N-ethyl-N-nitroso- H3C-(CH2)2-N(NO)-CH2CH3 XV-8
6472. 627-35-0 1 1 1 1-Propanamine, N-methyl- H3C-(CH2)2-NH-CH3 XII-2
6473. 78-81-9 1 1 1 1-Propanamine, 2-methyl- (H3C)2=CH-CH2-NH2 XII-2
6474. 1 0 0 1-Propanamine, 2-methyl-, N-butyl- (H3C)2=CH-CH2-NH-(CH2)3-CH3 XII-2
6475. 1 0 0 1-Propanamine, 2-methyl-, N-(2-methylpropyl)-N-nitroso-
XV-8
6476. 21968-17-2 1 1 1 1-Propanamine, N-(1-methylethyl)- H3C-(CH2)2-NH-CH=(CH3)2 XII-2
6477. 22023-64-9 1 0 0 1-Propanamine, N-(1-methylethylidene)- H3C-(CH2)2-NH-C(CH3)=CH2 XII-2
6478. 924-46-9 1 1 1 1-Propanamine, N-methyl-N-nitroso- {NMPA} H3C-(CH2)2-N(NO)-CH3 XV-8
6479. 3405-42-3 1 0 0 1-Propanamine, N-methyl-N-propyl- (H3C-CH2CH2)2=N-CH3 XII-2
6480. 621-64-7 1 1 1 1-Propanamine, N-nitroso-N-propyl- {NDPA} (H3C-CH2CH2)2=N-NO XV-8
6481. 142-84-7 1 1 1 1-Propanamine, N-propyl- (H3C-CH2CH2)2=NH XII-2
239
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6482. 7239-24-9 0 1 0 1-Propanamine, N,N,2-trimethyl- (H3C)2=CH-CH2-N=(CH3)2 XII-2
6483. 75-31-0 1 1 1 2-Propanamine (H3C)2=CH-NH2 XII-2
6484. 75-64-9 1 1 1 2-Propanamine, 2-methyl- (H3C)3≡C-NH2 XII-2
6485. 7515-80-2 1 0 0 2-Propanamine, 2-methyl-N-(1-methylethyl)- (H3C)3≡C-NH-CH(CH3)2 XII-2
6486. 3376-24-7 1 0 0 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide
XII-2
6487. 1 0 0 2-Propanamine, N-(2,2-dimethylethyl)- XII-2
6488. 4747-21-1 1 1 1 2-Propanamine, N-methyl- (H3C)2=CH-NH-CH3 XII-2
6489. 108-18-9 1 0 0 2-Propanamine, N-(1-methylethyl)- (H3C)2=CH-NH-CH=(CH3)2 XII-2
6490. 601-77-4 1 0 0 2-Propanamine, N-(1-methylethyl)-N-nitroso [(H3C)2=CH]2-N-NO XV-8
6491. 3332-08-9 1 0 0 2-Propanamine, N-(1-methylethylidene)- XII-2
6492. 1 0 0 2-Propanamine, N-(2-methylpropyl)- XII-2
6493. 1 1 1 2-Propanamine, N-propyl- XII-2
6494. 74-98-6 1 0 0 Propane H3C-CH2-CH3 I.A-10
6495. 96-12-8 0 1 0 Propane, 1,2-dibromo-3-chloro- {DBCP®} XVIII.B-3, XXI-3
6496. 78-87-5 0 1 0 Propane, 1,2-dichloro- XVIII.B-3, XXI-3
6497. 142-28-9 0 1 0 Propane, 1,3-dichloro- XVIII.B-3, XXI-3
6498. 4110-50-3 1 0 0 Propane, 1-(ethylthio)- H3C-(CH2)2-S-CH2-CH3 XVIII.A-1
6499. 3877-15-4 1 0 0 Propane, 1-(methylthio)- H3C-(CH2)2-S-CH3 XVIII.A-1
6500. 505-84-0 1 0 0 Propane, 1,1'-[methylenebis(oxy)]bis- X-2
6501. 76-19-7 0 1 0 Propane, octafluoro-
{Freon® 218; Perfluoropropane}
CF3CF2CF3 XVIII.B-3
6502. 111-43-3 1 0 0 Propane, 1,1'-oxybis- {dipropyl ether} [H3C-(CH2)2]2=O X-2
6503. 111-47-7 1 0 0 Propane, 1,1'-thiobis- {dipropyl sulfide} [H3C-(CH2)2]2=S XVIII.A-1
6504. 592-65-4 1 0 0 Propane, 1,1'-thiobis[2-methyl- {diisobutyl sulfide} [(H3C)2=CH)2]2=S XVIII.A-1
6505. 108-03-2 1 0 0 Propane, 1-nitro- H3C-(CH2)2-NO2 XVI-1
6506. 75-28-5 1 0 0 Propane, 2-methyl- {isobutane} (H3C)2=CH-CH3 I.A-10
6507. 79-46-9 1 0 0 Propane, 2-nitro- (H3C)2=CH-NO2 XVI-1
6508. 542-78-9 1 0 0 Propanedial H2C=(CH=O)2 III-12
6509. 4464-20-4 1 0 0 Propanedial, dihydroxy- (HO)2=C=(CH=O)2 II.A-5, III-12
6510. 497-16-5 1 0 0 Propanedial, oxo- O=C=(CH=O)2 III-12, III-13
6511. 56-18-8 1 0 0 1,3-Propanediamine, N-3-aminopropyl)- {norspermidine}
XII-2
6512. 141-82-2 1 1 1 Propanedioic acid {malonic acid} H2C=(COOH)2 IV.A-3
6513. 108-59-8 0 1 0 Propanedioic acid, dimethyl ester H2C=(COO-CH3)2 V-3
6514. 80-69-3 1 1 1 Propanedioic acid, hydroxy- HO-CH=(COOH)2 II.A-5, IV.A-3
6515. 516-05-2 0 1 0 Propanedioic acid, methyl- H3C-CH=(COOH)2 IV.A-3
6516. 607-81-8 1 0 0 Propanedioic acid, (phenylmethyl)-, diethyl ester V-3
6517. 57-55-6 1 1 1 1,2-Propanediol {propylene glycol} H3C-CHOH-CH2OH II.A5
6518. 627-69-0 1 1 1 1,2-Propanediol, 1-acetate H3C-CHOH-CH2-OOC-CH3 II.A5, V-3
6519. 6214-01-3 1 1 1 1,2-Propanediol, 2-acetate H3C-CH(OOC-CH3)-CH2OH II.A5, V-3
6520. 96-24-2 1 0 0 1,2-Propanediol, 3-chloro- Cl-CH2-CHOH-CH2OH II.A5, XVIII.B-3
240
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6521. 10602-14-9 0 1 0 1,2-Propanediol, 1-(dihydrogen phosphate) II.A-5
6522. 20390-21-0 1 0 0 1,2-Propanediol, 3-(furfuryloxy)- II. A-5, X-2
6523. 115888-33-0 0 1 0 1,2-Propanediol, 2-(1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-2-naphthalenyl)-, [2S-
[2α(S*),8α,8aβ]]-
II.A-5
6524. 99694-82-3 0 1 0 1,2-Propanediol, 2-(1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-2-naphthalenyl)-, [2R-
[2α(S*),8β,8aα]]-
II.A-5
6525. 115788-21-1 0 1 0 1,2-Propanediol, 2-(1,2,3,5,6,7,8,8a-octahydro-3-hydroxy-8,8a-dimethyl-2-naphthalenyl)-, [2S-
[2α(S*),3α,8β,8aα]]-
II.A-5
6526. 115788-20-0 0 1 0 1,2-Propanediol, 2-(1,2,3,5,6,7,8,8a-octahydro-5-hydroxy-8,8a-dimethyl-2-naphthalenyl)-, [2R-
[2α(R*),5α,8.
II.A-5
6527. 54541-18-3 1 0 0 1,2-Propanediol, 2-propanoate II.A-5, V-3
6528. 504-63-2 1 1 1 1,3-Propanediol {trimethylene glycol} HOCH2-CH2-CH2OH II.A-5
6529. 126-30-7 1 0 0 1,3-Propanediol, 2,2-dimethyl- II.A-5
6530. 1438-92-2 1 1 1 1,2-Propanedione, 1-(2-furanyl)- III-13
6531. 2034-60-8 0 1 0 1,2-Propanedione, 1-(4-hydroxy-3-methoxyphenyl)- III-13, X-2
6532. 1197-20-2 1 1 1 1,2-Propanedione, 1-(5-methyl-2-furanyl)- III-13
6533. 579-07-7 1 0 0 1,2-Propanedione, 1-phenyl- III-13
6534. 107-12-0 1 0 0 Propanenitrile H3C-CH2-CN XI-2
6535. 78-97-7 1 0 0 Propanenitrile, 2-hydroxy- H3C-CHOH-CN II.A-5, XI-2
6536. 75-86-5 1 0 0 Propanenitrile, 2-hydroxy-2-methyl- (H3C)2=COH-CN II.A-5, XI-2
6537. 78-82-0 1 1 1 Propanenitrile, 2-methyl- {isobutyronitrile} (H3C)2=CH-CN XI-2
6538. 78-67-1 0 1 0 Propanenitrile, 2-methyl-, 2,2’-azobis- {Porofor-57®}
XI-2
6539. 631-57-2 1 0 0 Propanenitrile, 2-oxo- H3C-CO-CN III-13, XI-2
6540. 60153-49-3 1 1 1 Propanenitrile, 3-(methylnitrosoamino)- {MNPN) H3C-N(NO)-(CH2)2-CN XI-2, XV-8
6541. 1738-25-6 1 0 0 Propanenitrile, 3-(dimethylamino)- XI-2, XII-2
6542. 111-97-7 1 0 0 Propanenitrile, 3,3'-thiobis- XI-2, XVIII.A-1
6543. 107-03-9 1 0 0 1-Propanethiol {propyl mercaptan} XVIII.A-1
6544. 513-44-0 1 0 0 1-Propanethiol, 2-methyl- {isobutyl mercaptan} XVIII.A-1
6545. 75-33-2 1 0 0 2-Propanethiol {isopropyl mercaptan} XVIII.A-1
6546. 30810-51-6 0 1 0 1,2,3-Propanetricarboxylic acid, 1-hydroxy- {isocitric acid}
HO-CH-COOH
H-C-COOH
H2C-COOH
II.A-5, IV.A-3
6547. 77-92-9 1 1 1 1,2,3-Propanetricarboxylic acid, 2-hydroxy- {citric acid}
H2C-COOH
C-COOHHO-
H2C-COOH
II.A-5, IV.A-3
6548. 58308-53-5 0 1 0 1,2,3-Propanetricarboxylic-1,3-14
C2 acid, 2-hydroxy-, labeled with
14C {citric acid-
14C}
XXV-29
6549. 3609-96-9 0 1 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, dipotassium salt
II.A-5, XX-6
241
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6550. 1 0 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monomethyl ester
II.A-5, V-3
6551. 18996-35-5 0 1 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt
II.A-5, XX-6
6552. 866-84-2 0 1 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt
II.A-5, XX-6
6553. 68-04-2 0 1 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt
II.A-5, XX-6
6554. 77-93-0 0 1 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester {triethyl citrate}
II.A-5, V-3
6555. 56-81-5 1 1 1 1,2,3-Propanetriol {glycerol} HOCH2-CHOH-CH2OH II.A-5
6556. 1 1 1 1,2,3-Propanetriol, labeled with 14
C {glycerol-
14C}
XXV-29
6557. 61892-59-9 1 0 0 1,2,3-Propanetriol, 1-acetate 2-formate II.A-5, V-3
6558. 25395-31-7 1 1 1 1,2,3-Propanetriol, diacetate {diacetin} II.A-5, V-3
6559. 57-03-4 0 1 0 1,2,3-Propanetriol, 1-(dihydrogen phosphate) II.A-5
6560. 927-20-8 0 1 0 1,2,3-Propanetriol, 1-(dihydrogen phosphate), magnesium salt (1:1)
II.A-5, XX-6
6561. 17603-42-8 0 1 0 1,2,3-Propanetriol, 1-(dihydrogen phosphate), sodium salt
II.A-5, XX-6
6562. 1335-34-8 0 1 0 1,2,3-Propanetriol, mono(dihydrogen phosphate), potassium salt
II.A-5, XX-6
6563. 26446-35-5 1 1 1 1,2,3-Propanetriol, monoacetate {monoacetin} II.A-5, V-3
6564. 72692-68-3 1 0 0 1,2,3-Propanetriol, monoformate II.A-5, V-3
6565. 0 1 0 1,2,3-Propanetriol, phosphatidyl- II.A-5
6566. 62244-24-0 1 0 0 1,2,3-Propanetriol, 1-propanoate, (R)- II.A-5, V-3
6567. 102-76-1 1 1 1 1,2,3-Propanetriol, triacetate {triacetin} V-3
6568. 0 1 0 1,2,3-Propanetriol, tri-9,12-octadecadienatepropanoate
V-3
6569. 139-45-7 1 0 0 1,2,3-Propanetriol, tripropanoate V-3
6570. 555-45-3 0 1 0 1,2,3-Propanetriol, tritetradecanoate {trimyristin} V-3
6571. 79-09-4 1 1 1 Propanoic acid {propionic acid} H3C-CH2-COOH IV.A-3
6572. 590-01-2 0 1 0 Propanoic acid, butyl ester V-3
6573. 76578-14-8 0 1 0 Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, ethyl ester {Quizalofop-Et®}
XVIII.B-3, XXI-3
Cl
N
N
O O
O
O
C2H5
6574. 75-98-9 0 1 0 Propanoic acid, 2,2-dimethyl- {pivalic acid} (H3C)3≡C-COOH IV.A-3
6575. 473-81-4 1 1 1 Propanoic acid, 2,3-dihydroxy- {glyceric acid} HOCH2-CHOH-COOH II.A-5, IV.A-3
6576. 6000-40-4 0 1 0 Propanoic acid, 2,3-dihydroxy-, (R)- II.A-5, IV.A-3
6577. 82546-67-6 1 0 0 Propanoic acid, 3-(ethoxycarbonyl)-3-(1-cyclohexenenyl)-
IV.A-3
6578. 50-21-5
598-82-3
1 1 1 Propanoic acid, 2-hydroxy- {lactic acid} H3C-CHOH-COOH II.A-5, IV.A-3
6579. 97-73-4 0 1 0 Propanoic acid, 2-hydroxy-, anhydride VII-1
242
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6580. 97-64-3 1 1 1 Propanoic acid, 2-hydroxy-, ethyl ester {ethyl lactate}
H3C-CHOH-COO-C2H5 II.A-5, V-3
6581. 547-64-8 1 0 0 Propanoic acid, 2-hydroxy-, methyl ester H3C-CHOH-COO-CH3 II.A-5, V-3
6582. 16595-31-6 0 1 0 Propanoic acid, 2-hydroxy-, sodium salt H3C-CHOH-COO-Na II.A-5, XX-6
6583. 594-61-6 0 1 0 Propanoic acid, 2-hydroxy-2-methyl- (H3C)2=COH-COOH IV.A-3
6584. 820-11-1 0 1 0 Propanoic acid, 2-hydroxy-3-(phosphonooxy)- II.A-5, IV.A-3
6585. 79-31-2 1 1 1 Propanoic acid, 2-methyl- {isobutyric acid} (H3C)2=CH-COOH IV.A-3
6586. 97-89-2 0 1 0 Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester
V-3
6587. 97-62-1 0 1 0 Propanoic acid, 2-methyl-, ethyl ester V-3
6588. 37704-28-2 0 1 0 Propanoic acid, 2-methyl-, 3,5,5-trimethyl-4-(3-oxo-1-butenyl)-3-cyclohexen-1-yl ester
V-3
6589. 547-63-7 0 1 0 Propanoic acid, 2-methyl-, methyl ester (H3C)2=CH-COO-CH3 V-3
6590. 0 1 0 Propanoic acid, 2-methyl-, 2-methylbutyl ester V-3
6591. 0 1 0 Propanoic acid, 2-methyl-, 3-methylbutyl ester V-3
6592. 65416-14-0 0 1 0 Propanoic acid, 2-methyl-, 2-methyl-4-oxo-4H-pyran-3-yl ester
V-3, X-2
6593. 103-93-5 0 1 0 Propanoic acid, 2-methyl-, 4-methylphenyl ester
{p-tolyl isobutyrate}
V-3
6594. 109-15-9 0 1 0 Propanoic acid, 2-methyl-, octyl ester V-3
6595. 103-48-0 0 1 0 Propanoic acid, 2-methyl-, phenylethyl ester V-3
6596. 103-28-6 0 1 0 Propanoic acid, 2-methyl-, phenylmethyl ester V-3
6597. 103-59-3 0 1 0 Propanoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester
V-3
6598. 0 1 0 Propanoic acid, 2-methylbutyl ester V-3
6599. 127-17-3 0 1 0 Propanoic acid, 2-oxo- {pyruvic acid} H3C-CO-COOH III-13, IV.A-5
6600. 617-35-6 1 0 0 Propanoic acid, 2-oxo-, ethyl ester H3C-CO-COO-C2H5 III-13, V-3
6601. 600-22-6 1 0 0 Propanoic acid, 2-oxo-, methyl ester H3C-CO-COO-CH3 III-13, V-3
6602. 3913-50-6 0 1 0 Propanoic acid, 2-oxo-3-(phosphonooxy)- III-13, IV.A-3
6603. 69806-50-4 0 1 0 Propanoic acid, 2-(4-(5-trifluoromethyl-2-pyridyloxy)phenoxy)-, butyl ester {Fluazifop-butyl®}
X-2, XVIII.B-3, XXI-3
ON
F3C O
O O-(CH2)3-CH3
6604. 4272-12-2 1 0 0 Propanoic acid, 3-(acetyloxy)- H3C-COO-(CH2)2-COOH IV.A-3, V-3
6605. 503-66-2 1 1 1 Propanoic acid, 3-hydroxy- HO-(CH2)2-COOH II.A-5, IV.A-3
6606. 4835-90-9 0 1 0 Propanoic acid, 3-hydroxy-,2,2-dimethyl- {hydroxypivalic acid}
HOH2C-C(CH3)2-COOH II.A-5, IV.A-3
6607. 1 0 0 Propanoic acid, 3-hydroxyphenyl- IV.A-3, IX.A-22
6608. 935-13-7 1 0 0 Propanoic acid, 3-(2-furanyl)- IV.A-3, X-2
6609. 1 0 0 Propanoic acid, 3-(4-hydroxyphenyl)-, methyl ester- V-3, IX.A-22
6610. 1456-08-2 1 0 0 Propanoic acid, 3-(5-methyl-2-furanyl)- IV.A-3, X-2
6611. 1 0 0 Propanoic acid, 3-hydroxy-, 2-methylamino-, propyl ester
II.A-5, V-3, XII-2
6612. 2553-59-5 0 1 0 Propanoic acid, 3-hydroxy-2-(phosphonooxy)- II.A-5, IV.A-3
6613. 1113-60-6 0 1 0 Propanoic acid, 3-hydroxy-2-oxo- II.A-5, III-13, IV.A-3
243
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6614. 2544-06-1 0 1 0 Propanoic acid, 3-methoxy- IV.A-3, X-2
6615. 105-68-0 0 1 0 Propanoic acid, 3-methylbutyl ester V-3
6616. 0 1 0 Propanoic acid, 3-(methylnitrosoamino)- {NMPA} H3C-N(NO)-(CH2)2-COOH IV.A-3, XV-8
6617. 13532-18-8 0 1 0 Propanoic acid, 3-(methylthio)-, methyl ester
H3C-(CH2)2-COO-CH3
V-3, XVIII.A-1
6618. 103-56-0 0 1 0 Propanoic acid, 3-phenyl-2-propenyl ester {cinnamyl propionate}
V-3
6619. 0 1 0 Propanoic acid, 4-hydroxyphenyl- IV.A-3, IX.A-22
6620. 105-38-4 0 1 0 Propanoic acid, ethenyl ester H3C-CH2-COO-CH=CH2 V-3
6621. 105-37-3 1 1 1 Propanoic acid, ethyl ester {ethyl propionate} H3C-CH2-COO-C2H5 V-3
6622. 554-12-1 1 1 1 Propanoic acid, methyl ester H3C-CH2-COO-CH3 V-3
6623. 122-63-4 0 1 0 Propanoic acid, phenylmethyl ester
{benzyl propionate}
V-3
6624. 71-23-8 1 1 1 1-Propanol H3C-CH2-CH2OH II.A-5
6625. 78-83-1 1 1 1 1-Propanol, 2-methyl- {isobutyl alcohol} (H3C)2=CH-CH2OH II.A-5
6626. 108-61-2 1 0 0 1-Propanol, 2,2'-oxybis- II.A-5, X-2
6627. 2396-61-4 1 0 0 1-Propanol, 3,3'-oxybis- II.A-5, X-2
6628. 67-63-0 1 1 1 2-Propanol II.A-5
6629. 110-98-5 1 0 0 2-Propanol, 1,1'-oxybis- II.A-5, X-2
6630. 127-00-4 1 0 0 2-Propanol, 1-chloro- II.A-5, XVIII.B-3
6631. 0 1 0 2-Propanol, 2-(2-ethyl-1,3-dimethylcyclopenten-2-yl)-
II.A-5
6632. 107-98-2 0 1 0 2-Propanol, 1-methoxy- II.A-5, X-2
6633. 75-65-0 1 0 0 2-Propanol, 2-methyl- {tert-butanol} (H3C)3≡C-OH II.A-5
6634. 1 0 0 1-Propanone, 1-(dimethylhydroxyphenyl)- III-13, IX.A-22
6635. 1 0 0 1-Propanone, 1-(3,5-dimethyl-4-hydroxyphenyl)- III-13, IX.A-22
6636. 1 0 0 1-Propanone, 1-(2-furanyl)- III-13, X-2
6637. 1 0 0 1-Propanone, 1-(3-furanyl)- III-13, X-2
6638. 1 0 0 1-Propanone, 1-(2-hydroxyphenyl)- III-13, IX.A-22
6639. 1 0 0 1-Propanone, 1-(3-hydroxyphenyl)- III-13, IX.A-22
6640. 1 0 0 1-Propanone, 1-(2-methylphenyl)- III-13
6641. 51772-30-6 1 0 0 1-Propanone, 1-(3-methylphenyl)- III-13
6642. 93-55-0 1 1 1 1-Propanone, 1-phenyl- {propiophenone} C6H5-CO-CH2-CH3 III-13
6643. 1 0 0 1-Propanone, 1-phenyl-3-hydroxy- II.A-5, III-13
6644. 1 0 0 1-Propanone, 1-(2-pyridinyl)- III-13, XVII.B-2
6645. 1 0 0 1-Propanone, 1-(2-pyridinyl)-2-methyl- III-13, XVII.B-2
6646. 1 1 1 1-Propanone, 1-(3-pyridinyl)- {pyridyl ethyl ketone} III-13, XVII.B-2
6647. 1 0 0 1-Propanone, 1-(4-methyl-2-pyridinyl)- III-13, XVII.B-2
6648. 1 0 0 1-Propanone, 1-(4-pyridinyl)- III-13, XVII.B-2
6649. 1 1 1 1-Propanone, 1-(1H-pyrrol-2-yl)- III-13, XVII.A-4
6650. 80933-75-1 0 1 0 1-Propanone, 1-[2-(3,4,5,6-tetrahydropyridinyl)]- III-13, XVII.B-2
6651. 67-64-1 1 1 1 2-Propanone {acetone} H3C-CO-CH3 III-13
244
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6652. 592-20-1 1 0 0 2-Propanone, 1-(acetyloxy)- H3C-CO-CH2-OOC-CH3 III-13, V-3
6653. 298-08-8 1 0 0 2-Propanone, 1-amino- H3C-CO-CH2-NH2 III-13, XII-2
6654. 78-95-5 1 0 0 2-Propanone, 1-chloro- H3C-CO-CH2-Cl III-13, XVIII.B-3
6655. 10258-70-5 0 1 0 2-Propanone, 1-(formyloxy)- H3C-CO-CH2-OOC-H III-13, V-3
6656. 116-09-6 1 1 1 2-Propanone, 1-hydroxy- {acetol} H3C-CO-CH2-OH II.A-5, III-13
6657. 1 0 0 2-Propanone, 1-hydroxy-, 2-furoyl ester III-13, V-3, X-2
COOCH2-CO-CH3O
6658. 57-04-5 0 1 0 2-Propanone, 1-hydroxy-3-(phosphonooxy)- II.A-5, III-13
6659. 122-84-9 0 1 0 2-Propanone, 1-(4-methoxyphenyl)- III-13
6660. 496-49-1 0 1 0 2-Propanone, 1-(1-methyl-2-pyrrolidinyl)- III-13, XVII.A-4
6661. 103-79-7 1 1 1 2-Propanone, 1-phenyl- III-13
6662. 20194-70-1 1 1 1 2-Propanone, 1-(tetrahydro-4-methyl-2H-pyran-2-yl)-
III-13, X-2
6663. 0 1 0 2-Propanone, 1-[tetrahydro-(2-methyl-5-methylethyl)-2-furanyl]-
O
CH3
CH3
CH3
H3CO
III-13, X-2
6664. 38713-24-5 0 1 0 2-Propanone, 1-[tetrahydro-3-(1-methylethyl)-2-furanyl]-, trans-
H3CH3C
CH3
O
O
III-13, X-2
6665. 39815-69-5 0 1 0 2-Propanone, 1-[tetrahydro-4-(1-methylethyl)-2-furanyl]-
III-13, X-2
6666. 39815-68-4 0 1 0 2-Propanone, 1-[tetrahydro-6-methyl-3-(1-methylethyl)-2H-pyran-2-yl]- {2 isomers reported}
O
CH3
CH3
H3C CH2-CO-CH3
III-13, X-2
6667. 0 1 0 2-Propanone, 1-[tetrahydro-6-methyl-4-(1-methylethyl)-2H-pyran-2-yl]-
III-13, X-2
6668. 6975-60-6 1 1 1 2-Propanone, 1-(2-furanyl)- III-13, X-2
6669. 0 1 0 2-Propanone, 1-[2-hydroxy-5-(1-methylethyl)-2-methyl-1-cyclopentyl]-
II.A-5, III-13
6670. 13100-05-5 1 0 0 2-Propanone, 1-(2-hydroxyphenyl)- III-13, IX.A-22
6671. 5211-62-1 1 0 0 2-Propanone, 1-(2-methoxyphenyl)- III-13
6672. 1 0 0 2-Propanone, 1-(2-tetrahydrofuranyl)- III-13
6673. 1 1 1 2-Propanone, 1-(3-hydroxyphenyl)- III-13, IX.A-22
6674. 18826-61-4 1 0 0 2-Propanone, 1-(3-methylphenyl)- III-13
6675. 6302-03-0 1 1 1 2-Propanone, 1-(3-pyridinyl)- III-13, XVII.B-2
6676. 0 1 0 2-Propanone, 1-(1,5-dimethyl-6,8-dioxabicyclo[3.2.1)oct-7-yl)-
III-13, X-2
6677. 96-26-4 1 0 0 2-Propanone, 1,3-dihydroxy- II.A-5, III-13
6678. 0 1 0 2-Propanone, 1-(3,4-dihydro-6-methylpyran-2-yl)- III-13, X-2
245
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6679. 19037-58-2 1 0 0 2-Propanone, 1-(3,5-dimethoxy-4-hydroxyphenyl)- III-13, IX.A-22, X-2
6680. 16695-72-0 1 1 1 2-Propanone, 1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, (E)-
III-13
6681. 16695-73-1 1 1 1 2-Propanone, 1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, (Z)-
III-13
6682. 2503-46-0 1 1 1 2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)- III-13, IX.A-22
6683. 770-39-8 1 0 0 2-Propanone, 1-(4-hydroxyphenyl)- III-13, IX.A-22
6684. 6304-16-1 1 0 0 2-Propanone, 1-(4-pyridinyl)- III-13, XVII.B-2
6685. 13678-74-5 1 1 1 2-Propanone, 1-(5-methyl-2-furanyl)- III-13, X-2
6686. 50672-03-2 1 0 0 2-Propanone, 1-[5-(hydroxymethyl)-2-furanyl]- II.A-5, III-13, X-2
6687. 107-02-8 1 1 1 2-Propenal {acrolein} H2C=CH-CH=O III-12
6688. 636-38-4 0 1 0 2-Propenal, 2,3-dihydroxy- II.A-5, III-12
6689. 78-85-3 1 1 1 2-Propenal, 2-methyl- {methacrolein} H2C=C(CH3)-CH=O III-12
6690. 31704-79-7 1 0 0 2-Propenal, 2-methyl-3-(5-methyl-2-furanyl)- III-12, X-2
6691. 101-39-3 0 1 0 2-Propenal, 2-methyl-3-phenyl- III-12
6692. 79407-66-2 0 1 0 2-Propenal, 3-(2,4-dihydroxyphenyl)- III-12, IX.A-22
6693. 874-66-8 1 0 0 2-Propenal, 3-(2-furanyl)-2-methyl- III-12, X-2
6694. 104-55-2 1 1 1 2-Propenal, 3-phenyl- {cinnamaldehyde} III-12
6695. 14371-10-9 0 1 0 2-Propenal, 3-phenyl-, (E)-
{trans-cinnamaldehyde}
III-12
6696. 122-40-7 0 1 0 2-Propenal, 3-phenyl-, α-pentyl- III-12
6697. 79-06-1 1 0 0 2-Propenamide {acrylamide} H2C=CH-CONH2 XIII-1
6698. 79-39-0 1 0 0 2-Propenamide, 2-methyl- {methacrylamide} XIII-1
6699. 1202-41-1 0 1 0 2-Propenamide, 3-(3,4-dihydroxyphenyl)- XIII-1
6700. 59001-33-1 0 1 0 2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-[3-[[4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]amino]butyl]amino]propyl]-
{dicaffeoylspermidine}
IX.A-22, XII-2, XIII-1
6701. 59576-98-6 0 1 0 2-Propenamide, 3-(4-hydroxyphenyl)- IX.A-22, XIII-1
6702. 621-79-4 1 0 0 2-Propenamide, 3-phenyl- C6H5-CH=CH-CONH2 XIII-1
6703. 61892-63-5 1 0 0 2-Propenamide, N-(1-oxopropyl)- XIII-1
6704. 29554-26-5 0 1 0 2-Propenamide, N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)- {caffeoylputrescine}
IX.A-22, XII-2, XIII-1
6705. 501-13-3 0 1 0 2-Propenamide, N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-
IX.A-22, XII-2, XIII-1
6706. 34136-53-3 0 1 0 2-Propenamide, N-(4-aminobutyl)-3-(4-hydroxyphenyl)-
IX.A-22, XII-2, XIII-1
6707. 42369-86-8 0 1 0 2-Propenamide, N,N'-1,4-butanediylbis[3-(4-hydroxy-3-methoxyphenyl)-
X-2, IX.A-22, XIII-1
6708. 107-11-9 1 0 0 2-Propen-1-amine {allyl amine; acrylamine} H2C=CH-CH2-NH2 XII-2
6709. 2878-14-0 1 0 0 2-Propen-1-amine, 2-methyl- H2C=C(CH3)-CH2-NH2 XII-2
6710. 115-07-1 1 0 0 1-Propene H3C-CH=CH2 I.B-1
6711. 115-11-7 1 0 0 1-Propene, 2-methyl- {isobutylene} H3C-C(CH3)=CH2 I.B-1
6712. 26952-23-8 0 1 0 1-Propene, 1,2-dichloro- {Telone®} XVIII.B-3, XXI-3
6713. 542-75-6 0 1 0 1-Propene, 1,3-dichloro- {1,3-D} XVIII.B-3, XXI-3
246
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6714. 2157-98-4 0 1 0 1-Propene, 1-methyl-3-(methylamino)-3-oxo-, dimethyl phosphate {Monocrotophos®}
H3C-NH-CO-CH=C(CH3)-P=O
OCH3
OCH3
V-3, XXI-3
6715. 557-31-3 1 1 1 1-Propene, 3-ethoxy- {allyl ethyl ether} X-2
6716. 10152-76-8 1 0 0 1-Propene, 3-(methylthio)- XVIII.A-1
6717. 27817-67-0 1 0 0 1-Propene, 3-(propylthio)- XVIII.A-1
6718. 592-88-1 1 0 0 1-Propene, 3,3'-thiobis- XVIII.A-1
6719. 107-13-1 1 0 0 2-Propenenitrile {acrylonitrile} H2C=CH-CN XI-2
6720. 126-98-7 1 0 0 2-Propenenitrile, 2-methyl- {methacrylonitrile} H2C=C(CH3)-CN XI-2
6721. 4360-47-8 1 0 0 2-Propenenitrile, 3-phenyl- {cinnamonitrile} XI-2
6722. 54356-27-3 1 0 0 2-Propenenitrile, 3-(3-pyridinyl)-, (E)- XI-2, XVII.B-2
6723. 54356-28-4 1 0 0 2-Propenenitrile, 3-(3-pyridinyl)-, (Z)- XI-2, XVII.B-2
6724. 870-23-5 1 0 0 2-Propene-1-thiol XVIII.A-1
6725. 499-12-7 1 1 1 1-Propene-1,2,3-tricarboxylic acid {aconitic acid} IV.A-3
6726. 79-10-7 1 0 0 2-Propenoic acid {acrylic acid} H2C=CH-COOH IV.A-3
6727. 138-08-9 0 1 0 2-Propenoic acid, 2-(phosphonooxy)- IV.A-3
6728. 79-41-4 1 0 0 2-Propenoic acid, 2-methyl- {methacrylic acid} IV.A-3
6729. 80-62-6 0 1 0 2-Propenoic acid, 2-methyl-, methyl ester V.A-3
6730. 31082-90-3 1 0 0 2-Propenoic acid, 3-(2,3-dihydroxyphenyl)- IV.A-3, IX.A-22
6731. 331-39-5 1 1 1 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- {caffeic acid}
IV.A-3, IX.A-22, XXI-3
COOHHO
HO
6732. 501-16-6 1 1 1 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)- {trans-caffeic acid}
IV.A-3, IX.A-22
6733. 4361-87-9 1 1 1 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (Z)- {cis-caffeic acid}
IV.A-3, IX.A-22
6734. 58994-15-3 0 1 0 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, monoamide with N-(3-aminopropyl)-1,4-butanediamine {caffeoylspermidine}
IX.A-22, XIII-1
6735. 2316-26-9 0 1 0 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)- IV.A-3, X-2
6736. 17093-82-2 0 1 0 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]- {1-O-caffeoylglucose}
IV.A-3, IX.A-22
COOH
Glucose-O
HO
6737. 14364-12-6 0 1 0 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]- {1-O-feruloylglucose}
II.A-5, IV.A-3, X-2
COOH
Glucose-O
H3CO
6738. 14364-05-7 0 1 0 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)phenyl]-
II.A-5, IV.A-3
247
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6739. 7362-37-0 1 1 1 2-Propenoic acid, 3-(3,5-dimethoxy-4-hydroxyphenyl)-, (E)- {trans-sinapic acid}
IV.A-3, IX.A-22, X-2
COOH
HO
H3CO
OCH3
6740. 7361-90-2 1 1 1 2-Propenoic acid, 3-(3,5-dimethoxy-4-hydroxyphenyl)-, (Z)- {cis-sinapic acid}
IV.A-3, IX.A-22, X-2
6741. 537-73-5 1 0 0 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)- IV.A-3, IX.A-22, X-2
6742. 25522-33-2 1 0 0 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (E)-
IV.A-3, IX.A-22, X-2
6743. 0 1 0 2-Propenoic acid, 3-(4,5-dihydroxy-3-methoxyphenyl)- {5-hydroxyferulic acid}
IV.A-3, IX.A-22, X-2
6744. 537-98-4 1 1 1 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- {trans-ferulic acid}
IV.A-3, X-2, IX.A-22, XXI-3
COOH
HO
H3CO
6745. 1014-83-1 1 1 1 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (Z)- {cis-ferulic acid}
IV.A-3, IX.A-22, X-2, XXI-3
6746. 2309-07-1 1 0 0 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester {ferulic acid, methyl ester}
V-3, IX.A-22, X-2
6747. 25429-38-3 1 0 0 2-Propenoic acid, 3-(hydroxyphenyl)- IV.A-3, IX.A-22
6748. 539-47-9 1 0 0 2-Propenoic acid, 3-(2-furanyl)- IV.A-3, X-2
6749. 583-17-5
614-60-8
1 0 0 2-Propenoic acid, 3-(2-hydroxyphenyl)- {o-coumaric acid}
IV.A-3, IX.A-22
6750. 588-30-7 0 1 0 2-Propenoic acid, 3-(3-hydroxyphenyl)- IV.A-3, IX.A-22
6751. 14755-02-3 0 1 0 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)- IV.A-3, IX.A-22
6752. 7400-08-0 1 1 1 2-Propenoic acid, 3-(4-hydroxyphenyl)- {coumaric acid}
IV.A-3, IX.A-22, XXI-3
6753. 501-98-4 1 1 1 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- {trans-coumaric acid}
IV.A-3, IX.A-22
6754. 4501-31-9 1 1 1 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)- {cis-coumaric acid}
IV.A-3, IX.A-22
6755. 14779-25-0 1 0 0 2-Propenoic acid, 3-(5-methyl-2-furanyl)- IV.A-3, X-2
6756. 17570-26-2 1 1 1 2-Propenoic acid, 3-(3-methoxyphenyl)-, (E)- IV.A-3, X-2
6757. 621-82-9 1 1 1 2-Propenoic acid, 3-phenyl- {cinnamic acid} C6H5-CH=CH-COOH IV.A-3
6758. 140-10-3 1 1 1 2-Propenoic acid, 3-phenyl-, (E)- {trans-cinnamic acid}
IV.A-3
6759. 102-94-3 1 1 1 2-Propenoic acid, 3-phenyl-, (Z)- {cis-cinnamic acid}
IV.A-3
6760. 47018-25-7 1 0 0 2-Propenoic acid, 3-phenyl-, 2-phenylethenyl ester V.A-3
6761. 122-69-0 1 1 1 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester {cinnamyl cinnamate}
V.A-3
6762. 103-36-6 1 1 1 2-Propenoic acid, 3-phenyl-, ethyl ester {ethyl cinnamate}
V.A-3
6763. 103-26-4 1 1 1 2-Propenoic acid, 3-phenyl-, methyl ester {methyl cinnamate}
C6H5-CH=CH-COO-CH3 V.A-3
6764. 7779-65-9 1 1 1 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester V.A-3
248
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6765. 122-67-8 0 1 0 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester V.A-3
6766. 103-53-7 0 1 0 2-Propenoic acid, 3-phenyl-, phenylethyl ester; V.A-3
6767. 103-41-3 1 1 1 2-Propenoic acid, 3-phenyl-, phenylmethyl ester {benzyl cinnamate}
V.A-3
6768. 122-68-9 0 1 0 2-Propenoic acid, 3-phenyl-, 3-phenylpropyl ester {3-phenylpropyl cinnamate}
V.A-3
6769. 96-33-3 1 1 1 2-Propenoic acid, methyl ester H2C=CH-COO-CH3 V.A-3
6770. 90-50-6 0 1 0 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)- IV.A-3
6771. 107-18-6 1 1 1 2-Propen-1-ol {allyl alcohol} H2C=CH-CH2OH II.A-5, XXI-3
6772. 104-54-1 1 1 1 2-Propen-1-ol, 3-phenyl- {cinnamyl alcohol} II.A-5
6773. 4407-36-7 0 1 0 2-Propen-1-ol, 3-phenyl-, (E)- II.A-5
6774. 21040-45-9 0 1 0 2-Propen-1-ol, 3-phenyl-, acetate, (E)- V.A-3
6775. 2983-65-5 1 0 0 2-Propen-1-one, 1-(4-hydroxy-3-methoxyphenyl)- III-13, IX.A-22, X-2
6776. 94-41-7 1 0 0 2-Propen-1-one, 1,3-diphenyl- {chalcone} III-13
6777. 145917-24-4 0 1 0 2-Propen-1-one, 1,3-di-3-pyridinyl-, (E)- III-13, XVII.B-2
6778. 10152-76-8 1 0 0 1-Propenylmethyl sulfide H3C-S-CH2-CH=CH2 XVIII.A-1
6779. 1 0 0 Propoxyl radical OC3H5 XXVII-1
6780. 74-99-7 1 0 0 1-Propyne H3C-C≡CH I.B-1
6781. 0 1 0 Protease XXII-2
6782. 0 1 0 Protease, serine XXII-2
6783. 0 1 0 Protease, sulfhydryl XXII-2
6784. 144419-45-4 0 1 0 Protein (Arabidopsis thaliana clone G9.1 gene A9 11.6-kilodalton reduced)
XXII-2
6785. 132966-19-9 0 1 0 Protein (tobacco 27.4-kilodalton RNA-binding precursor reduced)
XXII-2
6786. 132966-16-6 0 1 0 Protein (tobacco 27.4-kilodalton RNA-binding) XXII-2
6787. 137801-72-0 0 1 0 Protein (tobacco chloroplast clone pTB24 gene psbK)
XXII-2
6788. 139874-83-2 0 1 0 Protein (tobacco clone .lambda.18C gene RB7 reduced)
XXII-2
6789. 139874-82-1 0 1 0 Protein (tobacco clone .lambda.5A gene RB7 reduced)
XXII-2
6790. 162572-20-5 0 1 0 Protein (tobacco clone lambda T-FLO 4 gene NFL2) XXII-2
6791. 147445-75-8 0 1 0 Protein (tobacco clone pMG15 extensin-like precursor reduced)
XXII-2
6792. 146591-93-7 0 1 0 Protein (tobacco clone PRP3g12 gene PRP3 pistil-specific proline-rich precursor)
XXII-2
6793. 162572-19-2 0 1 0 Protein (tobacco clone pTGF220 gene NFL1) XXII-2
6794. 145895-79-0 0 1 0 Protein (tobacco flower-associated reduced) XXII-2
6795. 155077-18-2 0 1 0 Protein (tobacco gene MST1 hydrogen ion-monosaccharide-cotransporting reduced)
XXII-2
6796. 160936-45-8 0 1 0 Protein (tobacco leaf curl virus coat) XXII-2
6797. 155663-14-2 0 1 0 Protein CPB 20 (tobacco clone cpb20-44 antifungal reduced)
XXII-2
6798. 155663-12-0 0 1 0 Protein CPB 20 (tobacco clone cpb20-52 antifungal reduced)
XXII-2
249
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6799. 155663-10-8 0 1 0 Protein CPB 20, prepro- (tobacco clone cpb20-52 antifungal reduced)
XXII-2
6800. 155663-13-1 0 1 0 Protein CPB 20, pro- (tobacco clone cpb20-44 antifungal reduced)
XXII-2
6801. 155663-11-9 0 1 0 Protein CPB 20, pro- (tobacco clone cpb20-52 antifungal reduced)
XXII-2
6802. 144997-83-1 0 1 0 Protein D 2 (Nicotiana sylvestris clone yaDC12/yaDC17 gene psaDa precursor)
XXII-2
6803. 144997-84-2 0 1 0 Protein D 2 (Nicotiana sylvestris clone yaDC12/yaDC17 gene psaDa)
XXII-2
6804. 146150-25-6 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana plumbaginifolia clone NeIF-4A2 isoform reduced)
XXII-2
6805. 146150-27-8 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana plumbaginifolia clone NeIF-4A3 isoform reduced)
XXII-2
6806. 162572-22-7 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana tabacum clone NeIF-4A9)
XXII-2
6807. 162572-23-8 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana tabacum clone NeIF-4A11)
XXII-2
6808. 162572-24-9 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana tabacum clone NeIF-4A7)
XXII-2
6809. 162572-25-0 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana tabacum clone NeIF-4A15)
XXII-2
6810. 162572-26-1 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana tabacum clone NeIF-4A6)
XXII-2
6811. 162572-27-2 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana tabacum clone NeIF-4A13)
XXII-2
6812. 162572-28-3 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana tabacum clone NeIF-4A14)
XXII-2
6813. 143514-66-3 0 1 0 Protein formation initiation factor eIF 5A (Nicotiana plumbaginifolia clone NeIF-5A1 isoform C-terminal fragment reduced)
XXII-2
6814. 143514-67-4 0 1 0 Protein formation initiation factor eIF 5A (Nicotiana plumbaginifolia clone NeIF-5A2 isoform reduced)
XXII-2
6815. 143514-68-5 0 1 0 Protein formation initiation factor eIF 5A (Nicotiana tabacum samsun clone NeIF-5A3 isoform reduced)
XXII-2
6816. 152745-97-6 0 1 0 Protein L 17 (tobacco clone TSC81 ribosome reduced)
XXII-2
6817. 142978-88-9 0 1 0 Protein L 27 (tobacco chloroplast clone L27-1 ribosome precursor reduced)
XXII-2
6818. 142978-89-0 0 1 0 Protein L 27 (tobacco chloroplast clone L27-1 ribosome reduced)
XXII-2
6819. 160082-04-2 0 1 0 Protein LTP (tobacco) XXII-2
6820. 143513-70-6 0 1 0 Protein OEE 2 (tobacco strain NK326 precursor reduced)
XXII-2
6821. 9001-92-7 0 1 0 Proteinase XXII-2
6822. 37205-61-1 0 1 0 Proteinase inhibitor XXII-2
6823. 145090-32-0 0 1 0 Proteinase inhibitor, PI-1 XXII-2
6824. 150474-41-2 0 1 0 Proteinase inhibitor, prepro-TIMPa (Nicotiana tabacum samsun reduced)
XXII-2
250
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6825. 150474-40-1 0 1 0 Proteinase inhibitor, prepro-TIMPb (Nicotiana tabacum samsun reduced)
XXII-2
6826. 150474-44-5 0 1 0 Proteinase inhibitor, pro-TIMPa (Nicotiana tabacum samsun reduced)
XXII-2
6827. 150474-42-3 0 1 0 Proteinase inhibitor, pro-TIMPb (Nicotiana tabacum samsun reduced)
XXII-2
6828. 150474-45-6 0 1 0 Proteinase inhibitor, TIMPa (Nicotiana tabacum samsun reduced)
XXII-2
6829. 150474-43-4 0 1 0 Proteinase inhibitor, TIMPb (Nicotiana tabacum samsun reduced)
XXII-2
6830. 551-68-8 0 1 0 D-Psicose HOCH2-CO-(CHOH)3-CH2OH III-13, II.A-5
6831. 73-24-5 0 1 0 1H-Purin-6-amine {adenine}
NN
N NH
NH2
XVII.E-8
6832. 525-79-1 0 1 0 1H-Purin-6-amine, N-(2-furanylmethyl)- XVII.E-8
6833. 2365-40-4 0 1 0 1H-Purin-6-amine, N-(3-methyl-2-butenyl)- XVII.E-8
6834. 1214-39-7 0 1 0 1H-Purin-6-amine, N-(phenylmethyl)- XVII.E-8
6835. 56159-42-3 0 1 0 7H-Purin-6-amine, 7-β-D-glucopyranosyl-N-(phenylmethyl)-
II.A-5, XVII.E-8
6836. 38477-23-5 0 1 0 7H-Purin-6-amine, 7-D-glucofuranosyl-N-(phenylmethyl)-
II.A-5, XVII.E-8
6837. 54538-20-4 0 1 0 7H-Purin-6-amine, 7-D-glucosyl-N-(phenylmethyl)- II.A-5, XVII.E-8
6838. 20-73-0 0 1 0 1H-Purine NH
N
N
N
XVII.E-6
6839. 69-89-6 0 1 0 1H-Purine-2,6-dione, 3,7-dihydro- XIV-1, XVII.E-8
6840. 83-67-0 1 1 1 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl- {theobromine} O
O
N
CH3
CH3
N
N
23
4
56
7 NH
XIV-1, XVII.E-8
6841. 33073-01-7 1 0 0 1H-Purine-2,6-dione, 3,9-dihydro-1,9-dimethyl- XIV-1, XVII.E-8
6842. 58-08-2 1 1 1 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl- {caffeine} O
O
N
CH3
CH3
N
N
23
4
56
7 N
CH3
XIV-1, XVII.E-8
6843. 69-89-6 0 1 0 6H-Purine-2,6-dione, 1,7-dihydro- {xanthine} O
O
HN
NH
N
NH
XIV-1, XVII.E-8
6844. 1 0 0 6H-Purine-2,6-dione, 1,7-dihydro-, C3-alkyl- XIV-1, XVII.E-8
251
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6845. 73-40-5 0 1 0 6H-Purin-6-one, 2-amino-1,7-dihydro- {guanine} XII-2, XVII.C-1, XVII.E-8
H2N N
N
NH
HN
O
6846. 68-94-0 0 1 0 6H-Purin-6-one, 1,7-dihydro- {hypoxanthine} XII-2, XVII.C-1, XVII.E-8 O
NH
NHN
6847. 25512-65-6 1 1 1 2H-Pyran, dihydro- X-2
6848. 110-87-2 1 0 0 2H-Pyran, 3,4-dihydro- O1
2
3
4
5
6
X-2
6849. 10141-72-7 0 1 0 2H-Pyran, 2-methyltetrahydro- X-2
6850. 142-68-7 1 1 1 2H-Pyran, tetrahydro- O1
2
3
4
5
6
X-2
6851. 16409-43-1 0 1 0 Pyran, tetrahydro-4-methyl-2-(2-methylpropen-1-yl)- {rose oxide}
X-2
6852. 100-73-2 1 1 1 2H-Pyran-2-carboxaldehyde, 3,4-dihydro- {acrolein dimer}
III-12, X-2
6853. 70898-35-0 1 0 0 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-6-hydroxy-3-oxo-
II.A-5, III-12, III-13, X-2
6854. 112468-46-9 1 0 0 2H-Pyran-2,5(6H)-dione III-13, VI-3
6855. 1 0 0 2H-Pyran-4-methanol, 3,4-dihydro-2-hydroxy- O1
35
6OH
CH2OH
4
2
II.A-5, X-2
6856. 61892-96-4 1 0 0 2H-Pyran-6-methanol, 3,4-dihydro-3-hydroxy- II.A-5, X-2
6857. 19752-84-2 1 0 0 2H-Pyran-3-ol, tetrahydro- II.A-5, X-2
6858. 121198-47-8 1 0 0 Pyranone, dimethyl- III-13, X-2
6859. 504-31-4 1 0 0 2H-Pyran-2-one O O
2
3
4
5
6
VI-3
6860. 1 0 0 2H-Pyran-2-one, 6-chloro- VI-3, XVIII.B-3
6861. 0 1 0 2H-Pyran-2-one, 5,6-dihydro- VI-3
6862. 1 0 0 2H-Pyran-2-one, 5,6-dihydro-4,5-dimethyl- VI-3
6863. 1 0 0 2H-Pyran-2-one, 4,5-dihydro-3-hydroxy- VI-3
6864. 55100-07-7 0 1 0 2H-Pyran-2-one, 5,6-dihydro-4-hydroxy- II.A-5, VI-3
6865. 54657-94-2 1 0 0 2H-Pyran-2-one, 3,4-dihydro-5-methyl- VI-3
6866. 2381-87-5 1 1 1 2H-Pyran-2-one, 5,6-dihydro-4-methyl- VI-3
6867. 21722-33-8 1 1 1 2H-Pyran-2-one, 5,6-dihydro-4-(1-methylethyl)- VI-3
6868. 6400-69-4 1 0 0 2H-Pyran-2-one, 5,6-dihydro-6-propyl- VI-3
252
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6869. 1 0 0 2H-Pyran-2-one, hydroxyethyl- II.A-5, VI-3
6870. 1 0 0 2H-Pyran-2-one, hydroxy-methyl- II.A-5,VI-3
6871. 1 1 1 2H-Pyran-2-one, 3-hydroxy- II.A-5,VI-3
6872. 73692-69-0 0 1 0 2H-Pyran-2-one, 3-hydroxy-6-methyl- II.A-5, VI-3
6873. 1 1 1 2H-Pyran-2-one, 4-(1-methylethyl)- VI-3
6874. 27593-23-3 0 1 0 2H-Pyran-2-one, 6-pentyl- {6-amyl-α-pyrone} VI-3
6875. 542-28-9 1 1 1 2H-Pyran-2-one, tetrahydro-
{δ-valerolactone}
VI-3
6876. 1 0 0 2H-Pyran-2-one, tetrahydro-3,4-epoxy-5-hydroxy- II.A-5, VI-3, X-2
6877. 5058-01-5 1 0 0 2H-Pyran-2-one, tetrahydro-3-hydroxy- II.A-5, VI-3
6878. 1 0 0 2H-Pyran-2-one, tetrahydro-methoxy- VI-3, X-2
6879. 1 0 0 2H-Pyran-2-one, tetrahydro-methyl- VI-3
6880. 32821-70-8 0 1 0 2H-Pyran-2-one, tetrahydro-3-(1-methylethyl)- VI-3
6881. 78094-66-3 1 0 0 2H-Pyran-2-one, tetrahydro-4,5-dimethyl-, cis-(±)- VI-3
6882. 1 1 1 2H-Pyran-2-one, tetrahydro-4,6-dimethyl- VI-3
6883. 710-04-3 0 1 0 2H-Pyran-2-one, tetrahydro-6-hexyl-
{δ-undecalactone}
VI-3
6884. 61892-56-6 1 0 0 2H-Pyran-2-one, tetrahydro-4-hydroxy- II.A-5, VI-3
6885. 503-48-0 0 1 0 2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl- II.A-5, VI-3
6886. 1121-84-2 1 1 1 2H-Pyran-2-one, tetrahydro-4-methyl- VI-3
6887. 96168-15-9 1 0 0 2H-Pyran-2-one, tetrahydro-4-methyl-6-(3,7,11-trimethyldodecyl)-
VI-3
6888. 56947-55-8 1 1 1 2H-Pyran-2-one, tetrahydro-4-(1-methylethyl)- VI-3
6889. 21754-22-3 0 1 0 2H-Pyran-2-one, tetrahydro-4-(1-methylethyl)-, (±)- VI-3
6890. 10413-18-0
24405-16-1
0 1 0 2H-Pyran-2-one, tetrahydro-5,6-dimethyl- VI-3
6891. 33691-73-5 1 0 0 2H-Pyran-2-one, tetrahydro-5-hydroxy- II.A-5, VI-3
6892. 3301-94-8 0 1 0 2H-Pyran-2-one, tetrahydro-6-butyl-
{δ-nonalactone}
VI-3
6893. 2610-95-9 0 1 0 2H-Pyran-2-one, tetrahydro-6,6-dimethyl- VI-3
6894. 713-95-1 0 1 0 2H-Pyran-2-one, tetrahydro-6-heptyl-
{δ-dodecalactone}
VI-3
6895. 90-80-2 1 0 0 2H-Pyran-2-one, tetrahydro-6-hydroxymethyl, 3,4,5-
trihydroxy- gluconic acid, δ-lactone}
II.A-5, VI-3
6896. 823-22-3 1 1 1 2H-Pyran-2-one, tetrahydro-6-methyl-
{δ-hexalactone; δ -caprolactone}
VI-3
6897. 21722-34-9 0 1 0 2H-Pyran-2-one, tetrahydro-6-methyl-3-(1-methylethyl)- {2 isomers indicated}
VI-3
6898. 0 1 0 2H-Pyran-2-one, tetrahydro-6-methyl-4-(1-methylethyl)-
VI-3
6899. 2721-22-4 0 1 0 2H-Pyran-2-one, tetrahydro-6-nonyl- {tetradecalactone}
VI-3
6900. 705-86-2 0 1 0 2H-Pyran-2-one, tetrahydro-6-pentyl-
{δ-decalactone}
VI-3
253
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6901. 698-76-0 0 1 0 2H-Pyran-2-one, tetrahydro-6-propyl-
{δ-octalactone}
VI-3
6902. 28743-04-6 1 0 0 2H-Pyran-3(4H)-one O
O
2
4
5
6
III-13, X-2
6903. 1 0 0 2H-Pyran-3(4H)-one, dihydro- III-13, X-2
6904. 121197-11-3 1 0 0 2H-Pyran-3(4H)-one, dihydro-4-(hydroxymethyl)- II.A-5, III-13, X-2
6905. 1 0 0 2H-Pyran-3(4H)-one, dihydro-6-methoxy- III-13, X-2
6906. 43152-89-2 1 0 0 2H-Pyran-3(4H)-one, dihydro-6-methyl- III-13, X-2
6907. 98166-23-5 1 0 0 2H-Pyran-3(6H)-one O
O
2
4
5
6
III-13, X-2
6908. 108-97-4 1 0 0 4H-Pyran-4-one O
O
2
345
6
III-13, X-2
6909. 84302-42-1 1 0 0 4H-Pyran-4-one, 2,3-dihydro- III-13, X-2
6910. 28564-83-2 1 1 1 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-
O1 2
4
O
35
6
OHHO
H3C
II.A-5, III-13, X-2
6911. 6380-97-8 1 1 1 4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-2-(hydroxymethyl)-
II.A-5, III-13, X-2
6912. 38877-21-3 1 0 0 4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-6-methyl- II.A-5, III-13, X-2
6913. 131524-09-9 1 0 0 4H-Pyran-4-one, 2,6-diethyl-3-hydroxy- II.A-5, III-13, X-2
6914. 1004-36-0 1 0 0 4H-Pyran-4-one, 2,6-dimethyl- III-13, X-2
6915. 4940-17-4 1 0 0 4H-Pyran-4-one, 2-butyl-3-hydroxy- II.A-5, III-13, X-2
6916. 131524-16-8 1 0 0 4H-Pyran-4-one, 2-butyl-3-hydroxy-6-methyl- II.A-5, III-13, X-2
6917. 4940-11-8 1 1 1 4H-Pyran-4-one, 2-ethyl-3-hydroxy- {ethylmaltol} II.A-5, III-13, X-2
6918. 131524-08-8 1 0 0 4H-Pyran-4-one, 2-ethyl-3-hydroxy-5,6-dimethyl- II.A-5, III-13, X-2
6919. 131524-04-4 1 0 0 4H-Pyran-4-one, 2-ethyl-3-hydroxy-5-methyl- II.A-5, III-13, X-2
6920. 22639-24-3 1 0 0 4H-Pyran-4-one, 2-ethyl-3-hydroxy-6-methyl- II.A-5, III-13, X-2
6921. 61892-88-4 1 0 0 4H-Pyran-4-one, 2-hydroxy-3-methyl- II.A-5, III-13, X-2
6922. 61892-87-3 1 0 0 4H-Pyran-4-one, 2-hydroxy-5-methyl- II.A-5, III-13, X-2
6923. 1 0 0 4H-Pyran-4-one, 2-hydroxymethyl-3,5,6-trihydroxy- II.A-5, III-13, X-2
6924. 1 0 0 4H-Pyran-4-one, 2-methyl-3,5,6-trihydroxy- II.A-5, III-13, X-2
6925. 488-18-6 1 0 0 4H-Pyran-4-one, 3,5-dihydroxy- II.A-5, III-13, X-2
6926. 1 0 0 4H-Pyran-4-one, 2,5-dihydroxy-3-methyl- II.A-5, III-13, X-2
6927. 61892-86-2 1 0 0 4H-Pyran-4-one, 3,5-dihydroxy-2,6-dimethyl- II.A-5, III-13, X-2
6928. 1073-96-7 1 1 1 4H-Pyran-4-one, 3,5-dihydroxy-2-methyl- {5-hydroxymaltol}
II.A-5, III-13, X-2
6929. 1 0 0 4H-Pyran-4-one, 3,5-dihydroxymethyl-2,6-dimethyl- II.A-5, III-13, X-2
6930. 496-63-9 1 0 0 4H-Pyran-4-one, 3-hydroxy- II.A-5, III-13, X-2
6931. 40311-00-0 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- II.A-5, III-13, X-2
254
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6932. 4940-18-5 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-(1-methylpropyl)- II.A-5, III-13, X-2
6933. 131524-11-3 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-(2-methylbutyl)- II.A-5, III-13, X-2
6934. 76015-10-6 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-(2-methylpropyl)- II.A-5, III-13, X-2
6935. 131524-12-4 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-(3-methylbutyl)- II.A-5, III-13, X-2
6936. 131524-05-5 1 0 0 4H-Pyran-4-one, 3-hydroxy-2,5,6-trimethyl- II.A-5, III-13, X-2
6937. 131524-02-2 1 0 0 4H-Pyran-4-one, 3-hydroxy-2,5-dimethyl- II.A-5, III-13, X-2
6938. 2298-99-9 1 0 0 4H-Pyran-4-one, 3-hydroxy-2,6-dimethyl- II.A-5, III-13, X-2
6939. 1 0 0 4H-Pyran-4-one, 3-hydroxy-methyl- II.A-5, III-13, X-2
6940. 118-71-8 1 1 1 4H-Pyran-4-one, 3-hydroxy-2-methyl- {maltol} II.A-5, III-13, X-2
6941. 131524-10-2 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-methyl-6-propyl- II.A-5, III-13, X-2
6942. 131524-13-5 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-pentyl- II.A-5, III-13, X-2
6943. 4940-16-3 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-propyl- II.A-5, III-13, X-2
6944. 131524-07-7 1 0 0 4H-Pyran-4-one, 3-hydroxy-6-methyl-2-(1-methylethyl)-
II.A-5, III-13, X-2
6945. 131524-14-6 1 0 0 4H-Pyran-4-one, 3-hydroxy-6-methyl-2-(1-methylpropyl)-
II.A-5, III-13, X-2
6946. 131524-15-7 1 0 0 4H-Pyran-4-one, 3-hydroxy-6-methyl-2-(2-methylpropyl)-
II.A-5, III-13, X-2
6947. 40861-87-8 1 0 0 4H-Pyran-4-one, 3-hydroxy-6-methyl-2-propyl- II.A-5, III-13, X-2
6948. 50671-50-6 1 0 0 4H-Pyran-4-one, 3-methyl- III-13, X-2
6949. 644-46-2 1 0 0 4H-Pyran-4-one, 5-hydroxy-2-methyl- = 4H-Pyran-4-one, 3-hydroxy-6-methyl- {allomaltol}
II.A-5, III-13, X-2
6950. 131524-06-6 1 0 0 4H-Pyran-4-one, 6-ethyl-3-hydroxy-2-methyl- II.A-5, III-13, X-2
6951. 131524-17-9 1 0 0 4H-Pyran-4-one, 6-ethyl-3-hydroxy-2-propyl- II.A-5, III-13, X-2
6952. 1 0 0 4H-Pyran-4-one-2-carboxylic acid, 5-hydroxy- II.A-5, III-13, IV.A-5, X-2
6953. 1 0 0 4H-Pyran-4-one-2-carboxylic acid, 5-hydroxy-, (1-methylethyl) ester
II.A-5, III-13, V-3, X-2
HO
O
O
COO-CH(CH3)2
6954. 290-37-9 1 1 1 Pyrazine N
N
2
35
6
XVII.B-2
6955. 1 1 1 Pyrazine, alkyl- XVII.B-2
6956. 66288-42-4 1 1 1 Pyrazine, butenyl- XVII.B-2
6957. 78210-56-7 1 1 1 Pyrazine, 3-butenyl- = Pyrazine, 2-butenyl- XVII.B-2
6958. 29460-91-1 1 0 0 Pyrazine, butyl- XVII.B-2
6959. 32184-51-3 1 1 1 Pyrazine, 2-cyclopentyl-6-methyl- XVII.B-2
6960. 15707-24-1 1 1 1 Pyrazine, 2,3-diethyl- XVII.B-2
6961. 13238-84-1 1 1 1 Pyrazine, 2,5-diethyl- XVII.B-2
6962. 13067-27-1 1 1 1 Pyrazine, 2,6-diethyl- XVII.B-2
6963. 18138-05-1 1 0 0 Pyrazine, 3,5-diethyl-2-methyl- = Pyrazine, 2,6-diethyl-3-methyl-
XVII.B-2
6964. 25704-73-8 1 1 1 Pyrazine, dimethyl- XVII.B-2
6965. 5910-89-4 1 1 1 Pyrazine, 2,3-dimethyl- XVII.B-2
255
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
6966. 1 0 0 Pyrazine, 2,3-dimethyl-6-propyl- XVII.B-2
6967. 123-32-0 1 1 1 Pyrazine, 2,5-dimethyl- XVII.B-2
6968. 0 1 0 Pyrazine, 2,5-dimethyl-3-(1-methylethyl)- = Pyrazine, 3,6-dimethyl-2(1-methylethyl)-
XVII.B-2
6969. 1 0 0 Pyrazine, 2,5-dimethyl-6-propyl- XVII.B-2
6970. 108-50-9 1 1 1 Pyrazine, 2,6-dimethyl- XVII.B-2
6971. 71607-73-3 1 1 1 Pyrazine, dimethyethyl- XVII.B-2
6972. 4177-16-6 1 1 1 Pyrazine, ethenyl- XVII.B-2
6973. 13925-08-1 1 1 1 Pyrazine, 2-ethenyl-5-methyl- XVII.B-2
6974. 13925-09-2 1 1 1 Pyrazine, 2-ethenyl-6-methyl- XVII.B-2
6975. 13925-00-3 1 1 1 Pyrazine, ethyl- = Pyrazine, 2-ethyl- XVII.B-2
6976. 33504-66-4 1 0 0 Pyrazine, ethylmethyl- XVII.B-2
6977. 0 1 0 Pyrazine, 2-ethyl-5-ethylene- XVII.B-2
6978. 25680-58-4 0 1 0 Pyrazine, 2-ethyl-3-methoxy- X-2, XVII.B-2
6979. 0 1 0 Pyrazine, 2-ethyl-5-methoxy- X-2, XVII.B-2
6980. 0 1 0 Pyrazine, 2-ethyl-6-methoxy- X-2, XVII.B-2
6981. 15707-23-0 1 1 1 Pyrazine, 2-ethyl-3-methyl- XVII.B-2
6982. 13360-64-0 1 1 1 Pyrazine, 2-ethyl-5-methyl- XVII.B-2
6983. 13925-03-6 1 1 1 Pyrazine, 2-ethyl-6-methyl- = Pyrazine, 6-ethyl-2-methyl-
XVII.B-2
6984. 0 1 0 Pyrazine, 2-ethyl-3,5,6-trimethyl- XVII.B-2
6985. 13360-65-1 1 1 1 Pyrazine, 2-ethyl-3,6-dimethyl- = Pyrazine, 6-ethyl-2,5-dimethyl-
XVII.B-2
6986. 13925-07-0 1 1 1 Pyrazine, 2-ethyl-3,5-dimethyl- = Pyrazine, 3-ethyl-2,6-dimethyl-
XVII.B-2
6987. 15707-34-3 1 1 1 Pyrazine, 2-ethyl-5,6-dimethyl- = Pyrazine, 5-ethyl-2,3-dimethyl-
XVII.B-2
6988. 32736-95-1 1 1 1 Pyrazine, 2-furanyl- X-2, XVII.B-2
6989. 29460-98-8 1 1 1 Pyrazine, 3-furanyl- X-2, XVII.B-2
6990. 36238-34-3 1 1 1 Pyrazine, 5-(2-furanyl)-2,3-dimethyl- = Pyrazine, 2-(2-furanyl)-5,6-dimethyl-
X-2, XVII.B-2
6991. 27610-38-4 1 1 1 Pyrazine, 2-(2-furanyl)-5-methyl- X-2, XVII.B-2
6992. 32737-03-4 1 1 1 Pyrazine, 2-(2-furanyl)-6-methyl- X-2, XVII.B-2
6993. 29461-10-7 1 0 0 Pyrazine, 2-(3-furanyl)-5-methyl- X-2, XVII.B-2
6994. 3149-28-8 0 1 0 Pyrazine, methoxy- X-2, XVII.B-2
6995. 2847-30-5 0 1 0 Pyrazine, 3-methoxy-2-methyl- X-2, XVII.B-2
6996. 2882-22-6 0 1 0 Pyrazine, 5-methoxy-2-methyl- X-2, XVII.B-2
6997. 2882-21-5 0 1 0 Pyrazine, 6-methoxy-2-methyl- X-2, XVII.B-2
6998. 109-08-0 1 1 1 Pyrazine, methyl- = Pyrazine, 2-methyl- XVII.B-2
6999. 38713-41-6 1 1 1 Pyrazine, (1-methylethenyl)- XVII.B-2
7000. 29460-90-0 0 1 0 Pyrazine, (1-methylethyl)- XVII.B-2
7001. 34514-52-8 1 0 0 Pyrazine, methyl(1-methylethyl)- XVII.B-2
7002. 1 0 0 Pyrazine, 2-methyl-3-butyl- XVII.B-2
7003. 1 0 0 Pyrazine, 2-methyl-3-(2-methylbutyl)- XVII.B-2
256
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7004. 1 0 0 Pyrazine, 2-methyl-3-(3-methylbutyl)- XVII.B-2
7005. 0 1 0 Pyrazine, 2-methyl-3-(1-methylethyl)- XVII.B-2
7006. 13925-06-9 1 0 0 Pyrazine, 2-methyl-3-(2-methylpropyl)- XVII.B-2
7007. 1 0 0 Pyrazine, 2-methyl-5-(1-methylethyl)- XVII.B-2
7008. 58861-90-8 1 0 0 Pyrazine, 2-methyl-5-phenyl- XVII.B-2
7009. 55138-67-5 0 1 0 Pyrazine, 2-methyl-6-(1-propenyl)- XVII.B-2
7010. 36541-30-7 1 0 0 Pyrazine, methylpropyl- XVII.B-2
7011. 29461-03-8 1 0 0 Pyrazine, 2-methyl-5-propyl- XVII.B-2
7012. 1 0 0 Pyrazine, 2-methyl-6-propyl- XVII.B-2
7013. 6303-75-9 1 0 0 Pyrazine, pentyl- XVII.B-2
7014. 29460-97-7 1 1 1 Pyrazine, phenyl- XVII.B-2
7015. 18138-03-9 1 0 0 Pyrazine, propyl- XVII.B-2
7016. 1 0 0 Pyrazine, 2-(1-propenyl)- XVII.B-2
7017. 1124-11-4 1 1 1 Pyrazine, tetramethyl- XVII.B-2
7018. 14667-55-1 1 1 1 Pyrazine, trimethyl- XVII.B-2
7019. 61892-91-9 1 0 0 Pyrazinebutanol, 3-methyl- II.A-5, XVII.B-2
7020. 5780-66-5 1 0 0 Pyrazinecarboxaldehyde III-12, XVII.B-2
7021. 0 1 0 Pyrazinecarboxaldehyde, 5-(2-furanyl)-3-methyl- III-12, X-2, XVII.B-2
7022. 6705-31-3 1 1 1 Pyrazineethanol II.A-5, XVII.B-2
7023. 61892-92-0 1 1 1 Pyrazineethanol, 3-methyl- II.A-5, XVII.B-2
7024. 61892-93-1 1 1 1 Pyrazineethanol, 6-methyl- II.A-5, XVII.B-2
7025. 6705-33-5 1 0 0 Pyrazinemethanol II.A-5, XVII.B-2
7026. 61892-95-3 1 1 1 Pyrazinemethanol, 5-methyl- = Pyrazinemethanol, 3-methyl-
II.A-5, XVII.B-2
7027. 0 1 0 Pyrazinepentanol II.A-5, XVII.B-2
7028. 1 1 1 Pyrazinol, 3-methyl- II.A-5, XVII.B-2
7029. 78210-68-1 1 0 0 2(1H)-Pyrazinone, 1-methyl-3-(1-methylethyl)- XVII.B-2
7030. 19838-07-4 1 0 0 2(1H)-Pyrazinone, 3-methyl- XVII.B-2
7031. 20721-17-9 1 0 0 2(1H)-Pyrazinone, 5-methyl- XVII.B-2
7032. 20721-18-0 1 0 0 2(1H)-Pyrazinone, 6-methyl- XVII.B-2
7033. 288-13-1 1 1 1 1H-Pyrazole NH
N
XVII.A-4
7034. 1 0 0 1H-Pyrazole, C2-alkyl- XVII.A-4
7035. 67771-72-6 1 0 0 1H-Pyrazole, dimethyl- XVII.A-4
7036. 2820-37-3 1 0 0 1H-Pyrazole, 3,4-dimethyl- XVII.A-4
7037. 67-51-6 1 0 0 1H-Pyrazole, 3,5-dimethyl- XVII.A-4
7038. 1131-16-4 1 0 0 1H-Pyrazole, 3,5-dimethyl-1-phenyl- XVII.A-4
7039. 66719-08-2 1 0 0 1H-Pyrazole, methyl- XVII.A-4
7040. 1453-58-3 1 0 0 1H-Pyrazole, 3-methyl- XVII.A-4
7041. 3347-62-4 0 1 0 1H-Pyrazole, 3-methyl-5-phenyl- XVII.A-4
7042. 1072-91-9 1 0 0 1H-Pyrazole, 1,3,5-trimethyl- XVII.A-4
257
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7043. 5519-42-6 1 0 0 1H-Pyrazole, 3,4,5-trimethyl- XVII.A-4
7044. 61892-79-3 1 0 0 1H,7H-Pyrazolo[1,2-a]pyrazole-1,7-dione, tetrahydro-
N
N
OO
XVII.E-8
7045. 33986-27-5 0 1 0 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, 3-methyl-N-(3-methyl-2-butenyl)-
XII-2, XVII.E-8
7046. 33698-49-6 0 1 0 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, 3-methyl-N-(3-methylbutyl)-
XII-2, XVII.E-8
7047. 34232-31-0 0 1 0 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, N-(3-methyl-2-butenyl)-
XII-2, XVII.E-8
7048. 33986-28-6 0 1 0 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, N-(3-methylbutyl)-
XII-2, XVII.E-8
7049. 64990-23-4 1 0 0 Pyrenamine XII-2
7050. 64828-53-1 1 0 0 Pyrenamine, N-methyl- XII-2
7051. 1606-67-3 1 0 0 1-Pyreneamine XII-2
7052. 129-00-0 1 1 1 Pyrene {benzo[def]phenanthrene}
I.E-6
7053. 1 0 0 Pyrene, alkyl- I.E-6
7054. 35980-18-8 1 0 0 Pyrene, 1-butyl- I.E-6
7055. 55682-90-1 1 0 0 Pyrene, 1-decyl- I.E-6
7056. 28779-32-0 1 0 0 Pyrene, dihydro- I.E-6
7057. 30582-03-7 1 0 0 Pyrene, dimethyl- {at least three isomers in MSS} I.E-6
7058. 64401-21-4 1 0 0 Pyrene, 1,3-dimethyl- I.E-6
7059. 1 0 0 Pyrene, dimethyl-3,4-dimethylene- I.E-6
7060. 25732-74-5 1 0 0 Pyrene, 3,4-dimethylene- I.E-6
7061. 1 0 0 Pyrene, 3,4-dimethylenemethyl- I.E-6
7062. 1 0 0 Pyrene, 1,6-dinitro- XVI-1
7063. 1 0 0 Pyrene, 1,8-dinitro- XVI-1
7064. 1 0 0 Pyrene, ethyl- I.E-6
7065. 56142-12-2 1 0 0 Pyrene, 1-ethyl- I.E-6
7066. 71607-74-4 1 0 0 Pyrene, ethylmethyl- I.E-6
7067. 71607-75-5 1 0 0 Pyrene, hexamethyl- I.E-6
7068. 72692-89-8 1 0 0 Pyrene, 1-hexyl- I.E-6
7069. 27577-90-8 1 0 0 Pyrene, methyl- {several isomers in MSS} I.E-6
7070. 2381-21-7 1 0 0 Pyrene, 1-methyl- I.E-6
7071. 3442-78-2 1 0 0 Pyrene, 2-methyl- I.E-6
7072. 3353-12-6 1 0 0 Pyrene, 4-methyl- I.E-6
7073. 5522-43-0 1 0 0 Pyrene, 1-nitro- XVI-1
7074. 1 0 0 Pyrene, 4-nitro- XVI-1
7075. 71608-00-9 1 0 0 Pyrene, 1-octyl- I.E-6
258
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7076. 71607-76-6 1 0 0 Pyrene, pentamethyl-
{at least three isomers in MSS}
I.E-6
7077. 56142-09-7 1 0 0 Pyrene, propyl- I.E-6
7078. 71630-71-2 1 0 0 Pyrene, 1-tetradecyl- I.E-6
7079. 66161-17-9 1 0 0 Pyrene, tetrahydro- I.E-6
7080. 60826-75-7 1 0 0 Pyrene, tetramethyl- {at least four isomers in MSS} I.E-6
7081. 41637-88-1 1 0 0 Pyrene, trimethyl- {at least three isomers in MSS} I.E-6
7082. 121-21-1
4466-14-2
25402-06-6
121-21-9
1171-63-0
121-29-9
121-20-0
0 1 0 Pyrethrins (natural)
V-3, XXI-3
O
O
O
O
7083. 123-33-1 1 1 1 3,6-Pyridazinedione, 1,2-dihydro- {maleic hydrazide; MH; MH-30®} O O
NH
NH
XVII.B-2, XVII.C-1, XXI-3
7084. 5716-15-4 0 1 0 3,6-Pyridazinedione, 1,2-dihydro-, diethanolamine salt
XVII.B-2, XVII.C-1
7085. 51542-52-0 0 1 0 3,6-Pyridazinedione, 1,2-dihydro-, potassium salt XVII.B-2, XVII.C-1
7086. 26445-05-6 1 0 0 Pyridinamine XII-2, XVII.B-2
7087. 71607-77-7 1 0 0 Pyridinamine, N-methyl- XII-2, XVII.B-2
7088. 504-29-0 1 1 1 2-Pyridinamine XII-2, XVII.B-2
7089. 1603-40-3 1 0 0 2-Pyridinamine, 3-methyl- XII-2, XVII.B-2
7090. 695-34-1 1 0 0 2-Pyridinamine, 4-methyl- {2-amino-4-picoline} XII-2, XVII.B-2
7091. 1603-41-4 1 0 0 2-Pyridinamine, 5-methyl- XII-2, XVII.B-2
7092. 1824-81-3 1 0 0 2-Pyridinamine, 6-methyl- XII-2, XVII.B-2
7093. 30315-34-5 1 0 0 2-Pyridinamine, 5-(1-methyl-2-pyrrolidinyl)-, (S)- XII-2, XVII.B-4
7094. 1202-34-2 1 0 0 2-Pyridinamine, N-2-pyridinyl- XII-2, XVII.B-6
7095. 462-08-8 1 0 0 3-Pyridinamine XII-2, XVII.B-2
7096. 61771-67-3 1 0 0 3-Pyridinamine, 6-methoxy-N-methyl- X-2, XII-2, XVII.B-2
7097. 3430-10-2 1 0 0 3-Pyridinamine, 2-methyl- XII-2, XVII.B-2
7098. 3430-27-1 1 0 0 3-Pyridinamine, 4-methyl- XII-2, XVII.B-2
7099. 18364-47-1 1 0 0 3-Pyridinamine, N-methyl- XII-2, XVII.B-2
7100. 504-24-5 1 0 0 4-Pyridinamine XII-2, XVII.B-2
7101. 110-86-1 1 1 1 Pyridine
N2
3
4
5
6
XVII.B-2
7102. 1 0 0 Pyridine, alkyl- XVII.B-2
7103. 1 0 0 Pyridine, C3-alkyl- XVII.B-2
7104. 1 0 0 Pyridine, (C3-alkylphenyl)- {2 isomers detected} XVII.B-2
7105. 1 0 0 Pyridine, butenyl- {3 isomers} XVII.B-2
7106. 27175-64-0 1 1 1 Pyridine, dimethyl- {lutidine} XVII.B-2
259
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7107. 29011-62-9 1 0 0 Pyridine, dimethylethenyl- XVII.B-2
7108. 0 1 0 Pyridine, dimethylethyl- {2 isomers detected} XVII.B-2
7109. 1 0 0 Pyridine, dimethyl-2-(1-methylethyl)- XVII.B-2
7110. 1 0 0 Pyridine, dimethylphenyl- XVII.B-2
7111. 56842-43-4 1 0 0 Pyridine, diphenyl- XVII.B-2
7112. 1337-81-1 1 0 0 Pyridine, ethenyl- XVII.B-2
7113. 25638-00-0 1 0 0 Pyridine, ethenylmethyl- XVII.B-2
7114. 1 0 0 Pyridine, ethenyltrimethyl- XVII.B-2
7115. 28631-77-8 1 0 0 Pyridine, ethyl- XVII.B-2
7116. 27987-10-6 1 1 1 Pyridine, ethylmethyl- {4 isomers} XVII.B-2
7117. 64849-96-3 1 0 0 Pyridine, ethylphenyl- XVII.B-2
7118. 1333-41-1 1 1 1 Pyridine, methyl- {picoline} XVII.B-2
7119. 64828-54-2 1 0 0 Pyridine, methylphenyl- XVII.B-2
7120. 64828-55-3 1 0 0 Pyridine, phenylpropyl- XVII.B-2
7121. 1 0 0 Pyridine, phenyltrimethyl- XVII.B-2
7122. 1 0 0 Pyridine, propenyl- XVII.B-2
7123. 1 0 0 Pyridine, propyl- XVII.B-2
7124. 1 0 0 Pyridine, tetramethyl- XVII.B-2
7125. 29611-84-5 1 0 0 Pyridine, trimethyl- {collidine} XVII.B-2
7126. 6972-40-3 1 0 0 Pyridine, 1-ethyl-1,2,3,6-tetrahydro- XVII.B-2
7127. 694-05-3 1 1 1 Pyridine, 1,2,3,6-tetrahydro- {∆3-piperidine}
NH
12
3
6
XVII.B-2
7128. 0 1 0 Pyridine, 1-methyl-6-(2-pyridinyl)-1,2,5,6-tetrahydro- XVII.B-6
7129. 1 0 0 Pyridine, 2-(C3-alkylphenyl)- {2 isomers detected} XVII.B-2
7130. 5058-19-5 1 0 0 Pyridine, 2-butyl- XVII.B-2
7131. 1929-82-4 0 1 0 Pyridine, 2-chloro-6-(trichloromethyl)- {Nitrapyrin®}
NCl CCl3
XVII.B-2, XVIII.B-3, XXI-3
7132. 100-69-6 1 0 0 Pyridine, 2-ethenyl- XVII.B-2
7133. 22382-94-1 1 0 0 Pyridine, 2-ethenyl-3-methyl- XVII.B-2
7134. 1122-70-9 1 0 0 Pyridine, 2-ethenyl-6-methyl- XVII.B-2
7135. 100-71-0 1 1 1 Pyridine, 2-ethyl- XVII.B-2
7136. 1123-96-2 1 0 0 Pyridine, 2-ethyl-3,5-dimethyl- = Pyridine, 2,4-dimethyl-6-ethyl-
XVII.B-2
7137. 1124-35-2 1 0 0 Pyridine, 2-ethyl-4,6-dimethyl- XVII.B-2
7138. 2150-18-7 1 0 0 Pyridine, 2-ethyl-4-methyl- XVII.B-2
7139. 18113-81-0 1 0 0 Pyridine, 2-ethyl-5-methyl- XVII.B-2
7140. 1122-69-6 1 0 0 Pyridine, 2-ethyl-6-methyl- XVII.B-2
7141. 1628-89-3 1 0 0 Pyridine, 2-methoxy- X-2, XVII.B-2
7142. 109-06-8 1 1 1 Pyridine, 2-methyl- {2-picoline} XVII.B-2
7143. 1 1 1 Pyridine, 2-methyl-3-(1-methyl-2-pyrrolidinyl)- {2-methylnicotine}
XVII.B-4
260
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7144. 1 0 0 Pyridine, 2-(2-methylbutyl)- XVII.B-2
7145. 1 0 0 Pyridine, 2-(3-methylbutyl)- XVII.B-2
7146. 1 0 0 Pyridine, 2-(1-methylethenyl)- XVII.B-2
7147. 1 0 0 Pyridine, 2-(1-methylethyl)- XVII.B-2
7148. 1 0 0 Pyridine, 2-methyl-3-(1-methylethyl)- XVII.B-2
7149. 78210-48-7 1 0 0 Pyridine, 2-methyl-3-(1-propenyl)- XVII.B-2
7150. 15032-21-0 1 0 0 Pyridine, 2-methyl-4-phenyl- XVII.B-2
7151. 56057-93-3 1 1 1 Pyridine, 2-methyl-5-(1-methylethenyl)- XVII.B-2
7152. 20194-71-2 1 1 1 Pyridine, 2-methyl-5-(1-methylethyl)- XVII.B-2
7153. 56057-96-6 1 0 0 Pyridine, 2-methyl-5-(1-propenyl)- XVII.B-2
7154. 1 0 0 Pyridine, 2-methyl-6-(3-methylbutyl)- XVII.B-2
7155. 2294-76-0 1 1 1 Pyridine, 2-pentyl- XVII.B-2
7156. 1008-89-5 1 0 0 Pyridine, 2-phenyl- XVII.B-2
7157. 1 0 0 Pyridine, 2-propenyl- XVII.B-2
7158. 622-39-9 1 0 0 Pyridine, 2-propyl- XVII.B-2
7159. 101-82-6 1 0 0 Pyridine, 2-(phenylmethyl)- XVII.B-2
7160. 64389-08-8 1 0 0 Pyridine, 2-(1,5-dimethyl-1H-pyrrol-2-yl)- XVII.B-4
7161. 7399-50-0 1 0 0 Pyridine, 2-(1-ethylpropyl)- XVII.B-2
7162. 59409-91-5 1 0 0 Pyridine, 2-(1-methyl-3-butenyl)- XVII.B-2
7163. 525-75-7 1 0 0 Pyridine, 2-(1-methyl-1H-pyrrol-2-yl)-
{α-nicotyrine}
XVII.B-4
7164. 17618-94-9 1 0 0 Pyridine, 2-(1-propenyl)- XVII.B-2
7165. 78210-51-2 1 0 0 Pyridine, 2-(1H-pyrrol-1-ylmethyl)- XVII.B-4
7166. 21606-61-1 1 0 0 Pyridine, 2-(2-butenyl)- XVII.B-2
7167. 6304-24-1 1 0 0 Pyridine, 2-(2-methylpropyl)- XVII.B-2
7168. 583-61-9 1 1 1 Pyridine, 2,3-dimethyl- {2,3-lutidine} XVII.B-2
7169. 78210-40-9 1 0 0 Pyridine, 2-(3-ethylphenyl)- XVII.B-2
7170. 68258-35-5 0 1 0 Pyridine-2-13
C-3-14
C, 3-fluoro-5-(2-piperidinyl)-, (±)-, labeled with
13C and
14C
XVII.B-6
7171. 2233-29-6 1 0 0 Pyridine, 2,3,4-trimethyl- {2,3,4-collidine} XVII.B-2
7172. 695-98-7 1 1 1 Pyridine, 2,3,5-trimethyl- {2,3,5-collidine} XVII.B-2
7173. 1462-84-6 0 1 0 Pyridine, 2,3,6-trimethyl- {2,3,6-collidine} XVII.B-2
7174. 108-47-4 1 1 1 Pyridine, 2,4-dimethyl- {2,4-lutidine} XVII.B-2
7175. 36238-36-5 1 0 0 Pyridine, 2,4-dimethyl-5-(1-methylethyl)- XVII.B-2
7176. 1122-39-0 1 0 0 Pyridine, 2,4,5-trimethyl- {2,4,5-collidine} XVII.B-2
7177. 108-75-8 1 0 0 Pyridine, 2,4,6-trimethyl- {2,4,6-collidine} XVII.B-2
7178. 589-93-5 1 1 1 Pyridine, 2,5-dimethyl- {2,5-lutidine} XVII.B-2
7179. 15827-72-2 0 1 0 Pyridine, 2,5-diphenyl- XVII.B-2
7180. 108-48-5 1 1 1 Pyridine, 2,6-dimethyl- {2,6-lutidine} XVII.B-2
7181. 1463-03-2 1 0 0 Pyridine, 2,6-dimethyl-3-phenyl- XVII.B-2
7182. 3558-69-8 1 0 0 Pyridine, 2,6-diphenyl- XVII.B-2
7183. 1 0 0 Pyridine, (C5-alkenyl)- XVII.B-2
261
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7184. 539-32-2 1 1 1 Pyridine, 3-butyl- XVII.B-2
7185. 6760-12-9 1 0 0 Pyridine, 3-butyl-2,6-dimethyl- XVII.B-2
7186. 1121-55-7 1 1 1 Pyridine, 3-ethenyl- XVII.B-2
7187. 51961-51-4 1 0 0 Pyridine, 3-ethenyl-5-methyl- XVII.B-2
7188. 536-78-7 1 1 1 Pyridine, 3-ethyl- XVII.B-2
7189. 23580-52-1 0 1 0 Pyridine, 3-ethyl-2,6-dimethyl- XVII.B-2
7190. 529-21-5 1 0 0 Pyridine, 3-ethyl-4-methyl- XVII.B-2
7191. 3999-78-8 1 0 0 Pyridine, 3-ethyl-5-methyl- XVII.B-2
7192. 7295-76-3 1 1 1 Pyridine, 3-methoxy- XVII.B-2
7193. 78210-42-1 1 0 0 Pyridine, 3-methoxy-5-methyl- XVII.B-2
7194. 108-99-6 1 1 1 Pyridine, 3-methyl- {3-picoline} XVII.B-2
7195. 1 0 0 Pyridine, 3-(1-methylethyl)- XVII.B-2
7196. 1 0 0 Pyridine, 3-methyl-2-(2-methylbutyl)- XVII.B-2
7197. 1 0 0 Pyridine, 3-methyl-2-(3-methylbutyl)- XVII.B-2
7198. 72693-04-0 1 0 0 Pyridine, 3-methyl-2-(1-methylethyl)- XVII.B-2
7199. 18368-73-5 1 0 0 Pyridine, 3-methyl-2-nitro- XVI-1, XVII.B-2
7200. 10477-94-8 1 0 0 Pyridine, 3-methyl-5-phenyl- XVII.B-2
7201. 1802-20-6 1 1 1 Pyridine, 3-pentyl- XVII.B-2
7202. 1008-88-4 1 0 0 Pyridine, 3-phenyl- XVII.B-2
7203. 4673-31-8 1 0 0 Pyridine, 3-propyl- XVII.B-2
7204. 1 1 1 Pyridine, 3-propenyl- XVII.B-2
7205. 8210-50-1 1 0 0 Pyridine, 3-(tetrahydro-2-furanyl)- XVII.B-2
7206. 78210-38-5 1 0 0 Pyridine, 3-(1,3-dimethyl-1H-pyrrol-2-yl)- XVII.B-4
7207. 27293-93-2 0 1 0 Pyridine, 3-(1,3-dimethyl-2-pyrrolidinyl)- XVII.B-4
7208. 1 0 0 Pyridine, 3-(1,5-dimethyl-1H-pyrrol-2-yl)- XVII.B-4
7209. 78210-88-5 1 0 0 Pyridine, 3-[1-(5-ethyl-2-furanyl)-1H-pyrrol-2-yl]- X-2, XVII.B-4
7210. 68245-76-1 0 1 0 Pyridine, 3-(1-ethyl-2-piperidinyl)-, (S)- XVII.B-6
7211. 5979-92-0 1 0 0 Pyridine, 3-(1-ethyl-2-pyrrolidinyl)-, (S)- XVII.B-4
7212. 78210-87-4 1 0 0 Pyridine, 3-[1-[2-(2-furanyl)ethyl]-2-pyrrolidinyl]-, (S)-
X-2, XVII.B-4
7213. 78210-85-2 1 0 0 Pyridine, 3-[1-(2-furanylmethyl)-2-pyrrolidinyl]-, (S)- X-2, XVII.B-4
7214. 123676-95-9 0 1 0 Pyridine, 3-[1-[(hydroxy-1-oxooctyl)oxy]-2-pyrrolidinyl]-
II.A-5, XVII.B-4
7215. 1 0 0 Pyridine, 3-(1-methyl-3-butenyl)- XVII.B-2
7216. 72461-69-9 0 1 0 Pyridine, 3-[1-(1-methylethyl)-2-pyrrolidinyl]-, (S)- XVII.B-4
7217. 15825-89-5 1 0 0 Pyridine, 3-(1-methylethenyl)- XVII.B-2
7218. 1 0 0 Pyridine, 3-(1-methylethyl)- XVII.B-2
7219. 78210-86-3 1 0 0 Pyridine, 3-[1-[(5-methyl-2-furanyl)methyl]-2-pyrrolidinyl]-, (S)-
X-2, XVII.B-4
7220. 8210-84-1 1 0 0 Pyridine, 3-[1-methyl-2-(1-methylethyl)-1H-imidazol-5-yl]-
XVII.B-4
262
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7221. 24380-92-5
19730-04-2
1 1 1 Pyridine, 3-(1-methyl-2-piperidinyl)-, (S)- {N-methylanabasine}
XVII.B-6
N
N
CH3
7222. 22083-74-5 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (±)- XVII.B-4
7223. 25162-00-9 1 0 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (R)- {d-nicotine}
XVII.B-4
7224. 54-11-5 1 1 1 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)- {l-nicotine}
N
N
CH3
XVII.B-4, XXI-3
7225. 65-30-5 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)-, sulfate (2:1)
XVII.B-4, XXI-3
7226. 6505-86-8 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)-, sulfate XVII.B-4, XXI-3
7227. 2820-55-5 1 1 1 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 1-oxide, (S)- {nicotine N-oxide}
XVII.B-4
7228. 2820-51-1 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, hydrochloride, (S)-
XVII.B-4, XVIII.B-3
7229. 16586-18-8 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, labeled with 14
C, (S)- XVII.B-4
7230. 25429-24-7 1 1 1 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, monohydroxy derivative, (S)-
XVII.B-4
7231. 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 6-hydroxy XVII.B-4
7232. 2055-29-0 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, N,1-dioxide, (S)-
XVII.B-4
7233. 491-26-9 1 0 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, N-oxide, (2S)- XVII.B-4
7234. 1 1 1 Pyridine, 3-(1-methyl-2-pyrrolinyl)- {2,3-dehydronicotine}
N
N
CH3
XVII.B-4
7235. 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolinyl)-6-methyl- XVII.B-4
7236. 487-19-4 1 1 1 Pyridine, 3-(1-methyl-1H-pyrrol-2-yl)- {nicotyrine}
N
N
CH3
XVII.B-4
7237. 1133-64-8
37620-20-5
1 1 1 Pyridine, 3-(1-nitroso-2-piperidinyl)-, (S)- {NAB}
XV-8, XVII.B-6
7238. 16543-55-8 1 1 1 Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, (S)- {NNN}
XV-8, XVII.B-4
7239. 53844-45-4 1 1 1 Pyridine, 3-(1-nitroso-2-pyrrolidinyl-2-14
C)-, (S)-, label with
14C
XVII.B-4
7240. 1 0 0 Pyridine, 3-(1-pentyl-2-piperidinyl)-, XVII.B-6
7241. 1 0 0 Pyridine, 3-(1-pentyl-2-pyrrolidinyl)- XVII.B-4
7242. 15376-62-2 1 1 1 Pyridine, 3-(1-propenyl)- XVII.B-2
263
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7243. 78210-89-6 1 0 0 Pyridine, 3-[1-(5-propyl-2-furanyl)-1H-pyrrol-2-yl]- XVII.B-4
7244. 72692-99-0 1 0 0 Pyridine, 3-(1H-pyrrol-1-yl)- XVII.B-4
7245. 494-98-4 1 1 1 Pyridine, 3-(1H-pyrrol-2-yl)- {nornicotyrine}
N
NH
XVII.B-4
7246. 78210-90-9 1 0 0 Pyridine, 3-(2-butenyl)- XVII.B-2
7247. 78210-49-8 1 0 0 Pyridine, 3-(2-methyl-1H-pyrrol-1-yl)- XVII.B-4
7248. 6312-09-0 1 0 0 Pyridine, 3-(2-phenylethyl)- XVII.B-2
7249. 1 0 0 Pyridine, 3-(2-piperidinyl)-, (R)- {d-anabasine} XVII.B-6
7250. 494-52-0 1 1 1 Pyridine, 3-(2-piperidinyl)-, (S)- {l-anabasine}
N
NH
XVII.B-6
7251. 7300-28-9 1 0 0 Pyridine, 3-(2-propenyl)- XVII.B-2
7252. 1 0 0 Pyridine, 3-(2-pyrrolidinyl)-, (R)- {d-nornicotine} XVII.B-4
7253. 494-97-3 1 1 1 Pyridine, 3-(2-pyrrolidinyl)-, (S)- {l-nornicotine}
N
NH
XVII.B-4
7254. 53844-44-3 1 1 1 Pyridine, 3-(2-pyrrolidinyl-2-14
C)-, (S)-, labeled with 14
C XVII.B-4
7255. 71532-24-6 1 0 0 Pyridine, 3-(3-butenyl)- XVII.B-2
7256. 1 0 0 Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)- {d-myosmine}
XVII.B-4
7257. 532-12-7 1 1 1 Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)- {l-myosmine}
N
NH
N
N
XVII.B-4
7258. 0 1 0 Pyridine, 3-(3,4-dihydro-1-methyl-2H-pyrrol-5-yl)- {N-methylmyosmine}
XVII.B-4
7259. 78249-81-7 1 0 0 Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-, monomethyl derivative
XVII.B-4
7260. 78210-37-4 1 0 0 Pyridine, 3-(3,4-dihydro-3-methyl-2H-pyrrol-5-yl)- XVII.B-4
7261. 24950-44-5 1 0 0 Pyridine, 3,3'-(1,2-ethenediyl)bis- XVII.B-2
7262. 78210-39-6 1 0 0 Pyridine, 3-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)- XVII.B-4
7263. 18793-19-6 1 1 1 Pyridine, 3,3'-(2,4-piperidinediyl)bis- XVII.B-6
7264. 78210-43-2 1 0 0 Pyridine, 3,3'-methylenebis- XVII.B-2
7265. 1 0 0 Pyridine, 3,4’-methylenebis XVII.B-2
7266. 4385-67-5 1 0 0 Pyridine, 3-(3-methylphenyl)- XVII.B-2
7267. 525-74-6 1 0 0 Pyridine, 3-(4,5-dihydro-1-methyl-1H-pyrrol-2-yl)- XVII.B-4
7268. 583-58-4 1 1 1 Pyridine, 3,4-dimethyl- {3,4-lutidine} XVII.B-2
7269. 1 0 0 Pyridine, 3-(4-butenyl)- XVII.B-2
7270. 78210-41-0 1 0 0 Pyridine, 3-(4-ethylphenyl)- XVII.B-2
7271. 2057-39-8 1 0 0 Pyridine, 3-(4-methyl-3-pentenyl)- XVII.B-2
264
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7272. 72692-97-8 1 0 0 Pyridine, 3-(4-methylpentyl)- XVII.B-2
7273. 78210-44-3 1 0 0 Pyridine, 3-(4-pyridinylmethyl)- XVII.B-6
7274. 78210-45-4 1 0 0 Pyridine, 3-[2,5-dihydro-1-[(5-methyl-2-furanyl)methyl]-1H-pyrrol-2-yl]-
XVII.B-4
7275. 591-22-0 1 1 1 Pyridine, 3,5-dimethyl- {3,5-lutidine} XVII.B-2
7276. 78210-46-5 1 0 0 Pyridine, 3-[(5-methyl-2-furanyl)methyl]- X-2, XVII.B-2
7277. 5335-75-1 1 0 0 Pyridine, 4-butyl- XVII.B-2
7278. 100-43-6 1 1 1 Pyridine, 4-ethenyl- XVII.B-2
7279. 536-75-4 1 1 1 Pyridine, 4-ethyl- XVII.B-2
7280. 70199-60-9 1 0 0 Pyridine, 4-(methoxymethyl)- X-2, XVII.B-2
7281. 108-89-4 1 1 1 Pyridine, 4-methyl- {4-picoline} XVII.B-2
7282. 1 0 0 Pyridine, 4-methyl-2-(2-methylbutyl)- XVII.B-2
7283. 78210-47-6 1 0 0 Pyridine, 4-methyl-2-(3-methylbutyl)- XVII.B-2
7284. 1 0 0 Pyridine, 4-methyl-2-(2-methylpropyl)- XVII.B-2
7285. 84625-54-7 1 0 0 Pyridine, 4-methyl-2-pentyl- XVII.B-2
7286. 30256-45-2 1 0 0 Pyridine, 4-methyl-2-propyl- XVII.B-2
7287. 75835-01-7 1 0 0 Pyridine, 4-methyl-2-(2-phenylethyl)- XVII.B-2
7288. 19352-29-5 1 1 1 Pyridine, 4-methyl-3-phenyl- XVII.B-2
7289. 939-23-1 1 1 1 Pyridine, 4-phenyl- XVII.B-2
7290. 2116-65-6 0 1 0 Pyridine, 4-(phenylmethyl)- XVII.B-2
7291. 78210-91-0 1 0 0 Pyridine, 4-(1-butenyl)- XVII.B-2
7292. 3978-81-2 1 1 1 Pyridine, 4-(1,1-dimethylethyl)- {4-tert-butylpyridine}
XVII.B-2
7293. 22241-38-9 1 0 0 Pyridine, 4-(4-methylpentyl)- XVII.B-2
7294. 17618-95-0 1 0 0 Pyridine, 4-(1-propenyl)- XVII.B-2
7295. 140-76-1 1 0 0 Pyridine, 5-ethenyl-2-methyl- XVII.B-2
7296. 104-90-5 1 1 1 Pyridine, 5-ethyl-2-methyl- XVII.B-2
7297. 34137-26-3 0 1 0 Pyridine, 5-fluoro-3-(1-methyl-2-pyrrolidinyl)-, (S)- XVII.B-4, XVIII.B-3
7298. 55270-47-8 1 0 0 Pyridine, 5-methoxy-2-methyl- X-2, XVII.B-2
7299. 1 0 0 Pyridine, 5-methyl-2-(2-methylbutyl)- XVII.B-2
7300. 6343-58-4 1 0 0 Pyridine, 5-methyl-2-(1-methylethyl)- XVII.B-2
7301. 1 0 0 Pyridine, 5-methyl-2-(2-methylpropyl)- XVII.B-2
7302. 1 0 0 Pyridine, 5-methyl-2-pentyl- XVII.B-2
7303. 1 0 0 Pyridine, 5-methyl-2-propyl- XVII.B-2
7304. 1 0 0 Pyridinecarbonitrile, dimethyl- XI-2, XVII.B-2
7305. 1 0 0 Pyridinecarbonitrile, methyl- XI-2, XVII.B-2
7306. 55738-21-1 1 0 0 Pyridinedicarbonitrile XI-2, XVII.B-2
7307. 17945-79-8 1 0 0 2-Pyridinebutanol II.A-5, XVII.B-2
7308. 100-70-9 1 0 0 2-Pyridinecarbonitrile XI-2, XVII.B-2
7309. 20970-75-6 1 0 0 2-Pyridinecarbonitrile, 3-methyl- XI-2, XVII.B-2
7310. 1620-76-4 1 0 0 2-Pyridinecarbonitrile, 4-methyl- XI-2, XVII.B-2
7311. 1452-77-3 1 0 0 2-Pyridinecarboxamide XIII-1, XVII.B-2
265
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7312. 72693-02-8 1 0 0 2-Pyridinecarboxamide, 4,6-dimethyl- XIII-1, XVII.B-2
7313. 32743-35-4 1 0 0 2-Pyridinecarboxamide, 4-ethyl- XIII-1, XVII.B-2
7314. 13509-17-6 1 0 0 2-Pyridinecarboxamide, 5-ethyl- XIII-1, XVII.B-2
7315. 78210-61-4 1 0 0 2-Pyridinecarboxamide, 6-ethyl- XIII-1, XVII.B-2
7316. 20970-77-8 1 0 0 2-Pyridinecarboxamide, 5-methyl- XIII-1, XVII.B-2
7317. 63668-37-1 1 0 0 2-Pyridinecarboxamide, 6-methyl- XIII-1, XVII.B-2
7318. 1918-02-1 0 1 0 2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro- {Picloram®}
XII-2, XVII.B-2, XVIII.B-3, XXI-3
N
COOH
Cl
Cl
Cl
H2N
7319. 40222-77-3 1 0 0 2-Pyridinemethanol, 5-hydroxy- II.A-5, XVII.B-2
7320. 35549-47-4 1 0 0 2-Pyridinepropanenitrile XI-2, XVII.B-2
7321. 42545-63-1 1 0 0 3-Pyridineacetaldehyde III-12, XVII.B-2
7322. 70898-37-2 0 1 0 3-Pyridinebutanal, γ-(methylamino)- III-12, XII-2, XVII.B-2
7323. 64091-90-3 1 1 1 3-Pyridinebutanal, γ-(methylnitrosoamino)- {NNA}
III-12, XV-8, XVII.B-2
7324. 64142-45-6 1 1 1 3-Pyridinebutanal, γ-(methylnitrosoamino)-, (Z)- III-12, XV-8, XVII.B-2
7325. 76014-80-7 0 1 0 3-Pyridinebutanal, γ-oxo- III-12, III-13, XVII.B-2
7326. 1 0 0 3-Pyridinebutanamide, N-methyl- III-12, XVII.B-2
7327. 3000-74-6 1 1 1 3-Pyridinebutanamine, N-methyl- {dihydrometanicotine}
XII-2, XVII.B-2
N
NH-CH3
7328. 17270-48-3 0 1 0 3-Pyridinebutanoic acid, γ-(methylamino)-, (±)- IV.A-3, XII-2, XVII.B-2
7329. 152720-16-6 0 1 0 3-Pyridinebutanoic acid, γ-(methylnitroamino)- IV.A-3, XII-2, XVI-1, XVII.B-2
7330. 124128-84-0
133201-36-2
1 1 1 3-Pyridinebutanoic acid, γ-(methylnitrosoamino)- {iso-NNAC}
IV.A-3, XV-8, XVII.B-2
7331. 4192-31-8 0 1 0 3-Pyridinebutanoic acid, γ-oxo- III-13, IV.A-3, XVII.B-2
N
CO-(CH2)2-COOH
7332. 15873-27-5 1 1 1 3-Pyridinebutanoic acid, 1,6-dihydro-γ,6-dioxo- III-13, IV.A-3, XVII.B-2
N
CO-(CH2)2-COOH
OH
7333. 59578-66-4 1 1 1 3-Pyridinebutanol, δ-(methylnitrosoamino)- {NNAL}
{1-butanol, 4-(N-methylnitrosamino)-1-(3-pyridinyl)-}
II.A-5, XV-8, XVII.B-2
266
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7334. 133201-37-3 1 1 1 3-Pyridinebutanol, δ-(methylnitrosoamino)- {iso-NNAL}
{1-butanol, 4-(N-methylnitrosamino)-4-(3-pyridinyl)-}
II.A-5, XV-8, XVII.B-2
7335. 70898-36-1 0 1 0 3-Pyridinebutanol, δ-amino- II.A-5, XII-2, XVII.B-2
7336. 100-54-9 1 1 1 3-Pyridinecarbonitrile {nicotinonitrile} XI-2, XVII.B-2
7337. 38076-78-7 1 0 0 3-Pyridinecarbonitrile, 2-amino-5-methyl- XI-2, XVII.B-2
7338. 71607-63-1 1 0 0 3-Pyridinecarbonitrile, dimethyl- XI-2, XVII.B-2
7339. 61391-07-9 1 0 0 3-Pyridinecarbonitrile, 5-ethyl- XI-2, XVII.B-2
7340. 3222-52-4 32214-82-7
1 0 0 3-Pyridinecarbonitrile, 6-ethyl- XI-2, XVII.B-2
7341. 5444-01-9 1 0 0 3-Pyridinecarbonitrile, 4-methyl- XI-2, XVII.B-2
7342. 42885-14-3 1 0 0 3-Pyridinecarbonitrile, 5-methyl- XI-2, XVII.B-2
7343. 500-22-1 1 1 1 3-Pyridinecarboxaldehyde
{nicotinaldehyde; 3-formylpyridine}
CH=O
N
III-12, XVII.B-2
7344. 98-92-0 1 1 1 3-Pyridinecarboxamide {nicotinamide}
N
CO-NH2
XIII-1, XVII.B-2
7345. 72692-96-7 1 0 0 3-Pyridinecarboxamide, 2,4-dimethyl- XIII-1, XVII.B-2
7346. 10131-48-3 1 0 0 3-Pyridinecarboxamide, 2,6-dimethyl- XIII-1, XVII.B-2
7347. 58539-65-4 1 0 0 3-Pyridinecarboxamide, 2-methyl- XIII-1, XVII.B-2
7348. 78210-59-0 1 0 0 3-Pyridinecarboxamide, 4-ethyl- XIII-1, XVII.B-2
7349. 78210-60-3 1 0 0 3-Pyridinecarboxamide, 6-ethyl- XIII-1, XVII.B-2
7350. 6960-22-1 1 0 0 3-Pyridinecarboxamide, 6-methyl- XIII-1, XVII.B-2
7351. 4314-66-3 1 0 0 3-Pyridinecarboxamide, N-ethyl- XIII-1, XVII.B-2
7352. 114-33-0 1 1 1 3-Pyridinecarboxamide, N-methyl- XIII-1, XVII.B-2
7353. 1453-82-3 0 1 0 4-Pyridinecarboxamide {isonicotinamide} XIII-1, XVII.B-2
7354. 59-67-6 1 1 1 3-Pyridinecarboxylic acid {nicotinic acid} IV.A-3, XVII.B-2
7355. 5006-66-6 0 1 0 3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo- III-13, IV.A-3, XVII.B-2
7356. 93-60-7 1 1 1 3-Pyridinecarboxylic acid, methyl ester {methyl nicotinate}
V-3, XVII.B-2
7357. 89-00-9 0 1 0 2,3-Pyridinedicarboxylic acid {quinolinic acid} IV.A-3, XVII.B-2
7358. 58-56-0 0 1 0 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride
II.A-5, XVII.B-2, XVIII.B-3
7359. 13121-99-8 1 0 0 4-Pyridineacetonitrile XI-2, XVII.B-2
7360. 5264-15-3 1 0 0 4-Pyridinebutanol II.A-5, XVII.B-2
7361. 100-48-1 1 0 0 4-Pyridinecarbonitrile XI-2, XVII.B-2
7362. 5154-01-8 0 1 0 2,5-Pyridinediol II.A-5, XVII.B-2
7363. 626-06-2 0 1 0 2,6-Pyridinediol II.A-5, XVII.B-2
7364. 70898-25-8 1 0 0 2,6(1H,3H)-Pyridinedione, 3,5-dimethyl- XIV-1, XVII.B-2
267
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7365. 72692-95-6 1 0 0 2,6(1H,3H)-Pyridinedione, 4-methyl-
NH
OO1
2
34
CH3
XIV-1, XVII.B-2
7366. 72692-94-5 1 0 0 2,6(1H,3H)-Pyridinedione, 5-methyl- XIV-1, XVII.B-2
7367. 1 0 0 3-Pyridinemethanamine, ethyl- XII-2, XVII.B-2
7368. 3000-75-7 1 0 0 3-Pyridinemethanamine, N-ethyl- XII-2, XVII.B-2
7369. 100-55-0 0 1 0 3-Pyridinemethanol II.A-5, XVII.B-2
7370. 76014-81-8 0 1 0 3-Pyridinemethanol, α-[3-(methylnitrosoamino)propyl]-
II.A-5, XV-8, XVII.B-2
7371. 85352-99-4 0 1 0 3-Pyridinemethanol, α-[3-(methylnitrosoamino)propyl]-, 1-oxide
II.A-5, XV-8, XVII.B-2
7372. 71608-01-0 0 1 0 3-Pyridinepentanoic acid, 1,6-dihydro-δ,6-dioxo-
III-13, IV.A-3, XVII.B-2, XVII.C-1
NH
CO-(CH2)3-COOH
O
7373. 39954-19-3 0 1 0 2,3,6-Pyridinetriol
{see 2(1H)-pyridinone, 3,6-dihydroxy-}
II.A-5, XVII.B-2
7374. 60655-87-0 0 1 0 Pyridinium, 1-α-L-arabinopyranosyl-3-carboxy- II.A-5, XVII.B-2
7375. 35323-45-6 0 1 0 Pyridinium, 3-carboxy-1-β-D-glucopyranosyl-, hydroxide {trigonelline}
II.A-5, XVII.B-2
7376. 535-83-1 0 1 0 Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt
II.A-5, XVII.B-2
7377. 27341-45-3 1 0 0 Pyridinol II.A-5, XVII.B-2
7378. 1 1 1 Pyridinol, methyl- II.A-5, XVII.B-2
7379. 51025-25-3 1 0 0 Pyridinol, dimethyl- II.A-5, XVII.B-2
7380. 72762-00-6 1 0 0 2-Pyridinol {2(1H)-pyridinone} II.A-5, XVII.B-2
7381. 1 0 0 2-Pyridinol, 3,4-dimeth
{2(1H)-pyridinone, 3,4-dimethyl-}
II.A-5, XVII.B-2
7382. 1 0 0 2-Pyridinol, 3,5-dimethyl- II.A-5, XVII.B-2
7383. 1 0 0 2-Pyridinol, 3,6-dimethyl- II.A-5, XVII.B-2
7384. 1 0 0 2-Pyridinol, 4,6-dimethyl- II.A-5, XVII.B-2
7385. 1 0 0 2-Pyridinol, 6-ethyl- II.A-5, XVII.B-2
7386. 1 0 0 2-Pyridinol, 3-methyl- II.A-5, XVII.B-2
7387. 1 0 0 2-Pyridinol, 5-methyl- II.A-5, XVII.B-2
7388. 3279-76-3 1 0 0 2-Pyridinol, 6-methyl- {2(1H)-pyridinone, 6-methyl-}
II.A-5, XVII.B-2
7389. 1 1 1 2-Pyridinol, 4-phenyl- II.A-5, XVII.B-2
7390. 0 1 0 2-Pyridinol, 5-(2,3,4,5-tetrahydropyridinyl)- II.A-5, XVII.B-6
N
HO N
268
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7391. 0 1 0 2-Pyridinol-5-butanoic acid, γ-oxo- III-13, IV.A-3, XVII.B-2
HO N
CO-(CH2)2-COOH
7392. 0 1 0 2-Pyridinol-5-pentanoic acid, δ-oxo- III-13, IV.A-3, XVII.B-2
7393. 109-00-2 1 0 0 3-Pyridinol II.A-5, XVII.B-2
7394. 17747-43-2 1 0 0 3-Pyridinol, acetate (ester) V-3, XVII.B-2
7395. 1 0 0 3-Pyridinol, alkyl- II.A-5, XVII.B-2
7396. 27296-76-0 1 0 0 3-Pyridinol, 2,4-dimethyl- II.A-5, XVII.B-2
7397. 1122-43-6 1 0 0 3-Pyridinol, 2,6-dimethyl- II.A-5, XVII.B-2
7398. 27296-77-1 1 0 0 3-Pyridinol, 4,6-dimethyl- II.A-5, XVII.B-2
7399. 61893-00-3 1 0 0 3-Pyridinol, 5,6-dimethyl- II.A-5, XVII.B-2
7400. 61893-02-5 1 1 1 3-Pyridinol, 2-ethyl- II.A-5, XVII.B-2
7401. 62003-48-9 1 0 0 3-Pyridinol, 5-ethyl- II.A-5, XVII.B-2
7402. 1 0 0 3-Pyridinol, 6-ethyl- II.A-5, XVII.B-2
7403. 42451-07-0 1 0 0 3-Pyridinol, 6-ethyl-2-methyl- II.A-5, XVII.B-2
7404. 61893-01-4 1 0 0 3-Pyridinol, 6-ethyl-4-methyl- II.A-5, XVII.B-2
7405. 1 0 0 3-Pyridinol, 6-hydroxymethyl- II.A-5, XVII.B-2
7406. 91491-14-4 1 0 0 3-Pyridinol, methyl- II.A-5, XVII.B-2
7407. 1121-25-1 1 1 1 3-Pyridinol, 2-methyl- II.A-5, XVII.B-2
7408. 1121-19-3 1 0 0 3-Pyridinol, 4-methyl- II.A-5, XVII.B-2
7409. 42732-49-0 1 0 0 3-Pyridinol, 5-methyl- II.A-5, XVII.B-2
7410. 1121-78-4 1 0 0 3-Pyridinol, 6-methyl- II.A-5, XVII.B-2
7411. 14159-68-3 1 0 0 3-Pyridinol, 2-propyl- II.A-5, XVII.B-2
7412. 61893-03-6 1 0 0 3-Pyridinol, 4-propyl- II.A-5, XVII.B-2
7413. 61893-04-7 1 0 0 3-Pyridinol, 5-propyl- II.A-5, XVII.B-2
7414. 626-64-2 1 0 0 4-Pyridinol II.A-5, XVII.B-2
7415. 142-08-5 1 1 1 2(1H)-Pyridinone XVII.B-2, XVII.C-1
N O N OHONH
7416. 61892-76-0 1 0 0 2(1H)-Pyridinone, 5-acetyl-3,4-dihydro- XVII.B-2, XVII.C-1
7417. 57147-25-8 1 0 0 2(1H)-Pyridinone, 3,4-dihydro- XVII.B-2, XVII.C-1
7418. 61892-77-1 1 0 0 2(1H)-Pyridinone, 3,6-dihydro- XVII.B-2, XVII.C-1
7419. 6052-73-9 1 1 1 2(1H)-Pyridinone, 5,6-dihydro- {2-piperidone, 3,4-dehydro-}
N OH
12
3
4
5
6
XVII.B-2, XVII.C-1
7420. 0 1 0 2(1H)-Pyridinone, 5,6-dihydro-3,6,6-trimethyl- XVII.B-2, XVII.C-1
7421. 70969-38-9 0 1 0 2(1H)-Pyridinone, 5-(3,4-dihydro-2H-pyrrol-5-yl)- XVII.B-2, XVII.C-1
7422. 39954-19-3 0 1 0 2(1H)-Pyridinone, 3,6-dihydroxy- {see 2,3,6-pyridinetriol}
XVII.B-2, XVII.C-1
7423. 72692-83-2 1 0 0 2(1H)-Pyridinone, dimethyl- XVII.B-2, XVII.C-1
269
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7424. 6456-92-4 1 0 0 2(1H)-Pyridinone, 1,3-dimethyl- XVII.B-2, XVII.C-1
7425. 36330-90-2 1 0 0 2(1H)-Pyridinone, 3,4-dimethyl- XVII.B-2, XVII.C-1
7426. 3718-67-0 1 0 0 2(1H)-Pyridinone, 3,5-dimethyl- XVII.B-2, XVII.C-1
7427. 53428-02-7 1 0 0 2(1H)-Pyridinone, 3,6-dimethyl- XVII.B-2, XVII.C-1
7428. 16115-08-5 1 0 0 2(1H)-Pyridinone, 4,6-dimethyl- XVII.B-2, XVII.C-1
7429. 61892-99-7 1 0 0 2(1H)-Pyridinone, 6-ethyl- XVII.B-2, XVII.C-1
7430. 5154-01-8 0 1 0 2(1H)-Pyridinone, 5-hydroxy- II.A-5, XVII.B-2, XVII.C-1
7431. 626-06-2 0 1 0 2(1H)-Pyridinone, 6-hydroxy- II.A-5, XVII.B-2, XVII.C-1
7432. 694-85-9 1 1 1 2(1H)-Pyridinone, 1-methyl-
N O
CH3
12
3
4
5
6
XVII.B-2, XVII.C-1
7433. 1003-56-1 1 0 0 2(1H)-Pyridinone, 3-methyl- XVII.B-2, XVII.C-1
7434. 1003-68-5 1 0 0 2(1H)-Pyridinone, 5-methyl- XVII.B-2, XVII.C-1
7435. 3279-76-3 1 0 0 2(1H)-Pyridinone, 6-methyl- XVII.B-2, XVII.C-1
7436. 40316-88-9 1 0 0 2(1H)-Pyridinone, 3-(1-methyl-2-pyrrolidinyl)-, (S)- {nicotone}
XVII.B-4, XVII.C-1
7437. 10516-09-3 0 1 0 2(1H)-Pyridinone, 5-(1-methyl-2-pyrrolidinyl)-, (S)- XVII.B-4, XVII.C-1
7438. 19006-81-6 1 0 0 2(1H)-Pyridinone, 4-phenyl- XVII.B-2, XVII.C-1
7439. 58064-43-0 1 1 1 3-Pyridinone III-13, XVII.B-2
7440. 108-96-3 1 0 0 4(1H)-Pyridinone III-13, XVII.B-2
7441. 1 0 0 Pyridoindole XVII.E-6
7442. 1 0 0 Pyridoindole, butyl- XVII.E-6
7443. 1 0 0 Pyridoindole, C3-alkyl- XVII.E-6
7444. 1 0 0 Pyridoindole, N-methyl- XVII.E-6
7445. 26148-68-5 1 0 0 1H-Pyrido[2,3-b]indol-2-amine {AαC} XII-2, XVII.F-8
NH
N
NH2
7446. 68006-83-7 1 0 0 1H-Pyrido[2,3-b]indol -2-amine, 3-methyl-
{MeAαC}
XII-2, XVII.F-8
NH
N
NH2
CH3
7447. 244-76-8 1 0 0 1H-Pyrido[2,3-b]indole
NH
N1
2
34
XVII.E-6
7448. 72693-00-6 1 0 0 1H-Pyrido[2,3-b]indole, 1-butyl- XVII.E-6
7449. 61893-11-6 1 0 0 1H-Pyrido[2,3-b]indole, 2-ethyl- XVII.E-6
7450. 1 0 0 1H-Pyrido[2,3-b]indole, 2-methyl- XVII.E-6
7451. 1 0 0 1H-Pyrido[2,3-b]indole, 3-methyl- XVII.E-6
270
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7452. 78210-53-4 1 0 0 1H-Pyrido[2,3-b]indole, 2-(2-methylpropyl)- XVII.E-6
7453. 78210-54-5 1 0 0 1H-Pyrido[2,3-b]indole, 2-pentyl- XVII.E-6
7454. 42438-90-4 1 0 0 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-, (S)-
IV.A-3, XVII.E-8
7455. 40678-46-4 1 0 0 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, (1S-cis)-
IV.A-3, XVII.E-8
7456. 83177-17-7 0 1 0 3H-Pyrido[3,4-b]indol-7-ol; 1,2-dihydro-
{1,2-dihydro-1-demethylharmalol}
XVII.E-8
NH
NHHO
7457. 62450-06-0 1 0 0 5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl- {Trp-P-1}
XII-2, XVII.F-8
NH
N
CH3
NH2
CH3
7458. 62450-07-1 1 0 0 5H-Pyrido[4,3-b]indol-3-amine, 1-methyl- {Trp-P-2}
XII-2, XVII.F-8
NH
N
CH3
NH2
7459. 17276-85-6 1 0 0 9H-Pyrido[2,3-b]indole, 2-methyl- XVII.E-6
7460. 244-63-3 1 1 1 9H-Pyrido[3,4-b]indole
{norharman = β-carboline = 2-azacarbazole} NH
N
XVII.E-6
7461. 10371-85-4 1 0 0 9H-Pyrido[3,4-b]indole, 1-butyl- XVII.E-6
7462. 20127-61-1 1 0 0 9H-Pyrido[3,4-b]indole, 1-ethyl- XVII.E-6
7463. 1 0 0 9H-Pyrido[3,4-b]indole, methyl- {methylnorharman}
XVII.E-6
7464. 486-84-0 1 1 1 9H-Pyrido[3,4-b]indole, 1-methyl- {harman}
NH
N
CH3
XVII.E-6
7465. 78210-55-6 1 0 0 9H-Pyrido[3,4-b]indole, 1-(1-propenyl)- XVII.E-6
7466. 78538-74-6 1 0 0 9H-Pyrido[3,4-b]indole-3-carboxamide, N-methyl- XIII-1, XVII.E-8
7467. 50609-61-5 1 0 0 4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 9-hydroxy-4-oxo-, ethyl ester
II.A-5, V-3, XVII.E-8
7468. 3303-26-2 0 1 0 Pyrido[3,2-d]pyrimidin-4-ol, 2-methyl- II.A-5, XVII.E-8
7469. 289-95-2 0 1 0 Pyrimidine {1,3-diazine} N
N
XVII.B-2
271
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7470. 5221-53-4 0 1 0 Pyrimidine, 5-butyl-2-dimethylamino-4-hydroxy-6-methyl- {Dimetherimol®}
N (CH3)2
CH3HO
(CH2)3-CH3
NN
II.A-5, XVII.B-2,
XXI-3
7471. 72692-81-0 1 0 0 Pyrimidine, dimethyl- XVII.B-2
7472. 14331-54-5 1 0 0 Pyrimidine, 2,4-dimethyl- XVII.B-2
7473. 1 0 0 Pyrimidine, 2,5-dimethyl-6-hydroxy- XVII.B-2
7474. 1558-17-4 1 0 0 Pyrimidine, 4,6-dimethyl- XVII.B-2
7475. 88070-43-3 1 0 0 Pyrimidine, 5-hydroxy-4-phenyl- II.A-5, XVII.B-2
7476. 1 0 0 Pyrimidine, methylethyl- {2 isomers} XVII.B-2
7477. 66-22-8 0 1 0 2,4(1H,3H)-Pyrimidinedione {uracil}
O N
HN
H
O
XVII.B-2
7478. 4160-77-4 1 0 0 2,4(1H,3H)-Pyrimidinedione, 3,5-dimethyl- XVII.B-2
7479. 61893-13-8 1 0 0 2,4(1H,3H)-Pyrimidinedione, 3-ethyldihydro-5-methyl-
XVII.B-2
7480. 65-71-4 1 1 1 2,4(1H,3H)-Pyrimidinedione, 5-methyl- {thymine}
XVII.B-2
7481. 71-30-7 0 1 0 2(1H)-Pyrimidinone, 4-amino- {cytosine} H2N
NHN
O
XVII. B-2, XVII.C-1
7482. 34939-17-8 1 0 0 2(1H)-Pyrimidinone, 4,5-dimethyl-= 2- Pyrimidinol, 4,5-dimethyl-
XVII.B-2, XVII.C-1
7483. 3059-71-0 1 0 0 4(1H)-Pyrimidinone, 2,5-dimethyl- = 6-Pyrimidinol, 2,5-dimethyl-
XVII.B-2, XVII.C-1
7484. 6622-92-0 1 0 0 4(1H)-Pyrimidinone, 2,6-dimethyl- = 6-Pyrimidinol, 2,4-dimethyl-
XVII.B-2, XVII.C-1
7485. 34916-78-4 1 0 0 4(1H)-Pyrimidinone, 5,6-dimethyl- = 6-Pyrimidinol, 4,5-dimethyl-
XVII.B-2, XVII.C-1
7486. 16858-16-5 1 0 0 4(1H)-Pyrimidinone, 6-methyl-2-propyl- = 6-Pyrimidinol, 4-methyl-2-propyl-
XVII.B-2, XVII.C-1
7487. 533-37-9 1 0 0 5H-1-Pyrindine, 6,7-dihydro- XVII.E-8
7488. 55713-43-4 0 1 0 7H-2-Pyrindin-7-one, 5,6-dihydro-3,6,6-trimethyl-
N
CH3
CH3
H3C
O
12
3
45
6
7
III-13
7489. 9033-44-7 0 1 0 Pyrophosphatase XXII-2
7490. 9024-82-2 0 1 0 Pyrophosphatase, inorganic XXII-2
7491. 37289-33-1 0 1 0 Pyrophosphatase, nicotinamide adenine dinucleotide
XXII-2
7492. 9032-64-8 0 1 0 Pyrophosphatase, nucleotide XXII-2
7493. 9038-53-3 0 1 0 Pyrophosphatase, thiamin XXII-2
7494. 68858-66-2 0 1 0 Pyrophosphorylase XXII-2
7495. 37277-74-0 0 1 0 Pyrophosphorylase, nicotinate mononucleotide (carboxylating)
XXII-2
272
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7496. 106398-69-0 1 0 0 Pyrrole, butyl- XVII.A-4
7497. 71607-59-5 1 0 0 Pyrrole, dihydromethyl- XVII.A-4
7498. 1 0 0 Pyrrole, hydroxymethyl- II.A-5, XVII.A-4
7499. 109-97-7 1 1 1 1H-Pyrrole {azole}
NH
2
34
5
XVII.A-4
7500. 609-41-6 1 0 0 1H-Pyrrole, 1-acetyl- XVII.A-4
7501. 23105-58-0 1 0 0 1H-Pyrrole, 1-acetyl-2,3-dihydro- XVII.A-4
7502. 38207-11-3 0 1 0 1H-Pyrrole, 1-acetyl-2-methyl- XVII.A-4
7503. 0 1 0 1H-Pyrrole, 1-acetyl-3-methyl- XVII.A-4
7504. 589-33-3 1 0 0 1H-Pyrrole, 1-butyl- XVII.A-4
7505. 62672-96-2 1 0 0 1H-Pyrrole, 1-(1-cyclohexen-1-yl)- XVII.A-4
7506. 28350-87-0 1 0 0 1H-Pyrrole, dihydro- XVII.A-4
7507. 109-96-6 1 1 1 1H-Pyrrole, 2,5-dihydro- {3-pyrroline}
NH
1 2
34
5
XVII.A-4
7508. 554-15-4 0 1 0 1H-Pyrrole, 2,5-dihydro-1-methyl- XVII.A-4
7509. 1 0 0 1H-Pyrrole, 2,3-dimethyl- XVII.A-4
7510. 625-82-1 1 1 1 1H-Pyrrole, 2,4-dimethyl- XVII.A-4
7511. 625-84-3 1 1 1 1H-Pyrrole, 2,5-dimethyl- XVII.A-4
7512. 1 0 0 1H-Pyrrole, 3,4-dimethyl- XVII.A-4
7513. 2433-66-1 0 1 0 1H-Pyrrole, 2-ethenyl- XVII.A-4
7514. 617-92-5 1 1 1 1H-Pyrrole, 1-ethyl- XVII.A-4
7515. 1 0 0 1H-Pyrrole, 3-ethyl-1-phenyl- XVII.A-4
7516. 1 0 0 1H-Pyrrole, 1-(2-furanyl)- XVII.A-4
7517. 1438-94-4 1 1 1 1H-Pyrrole, 1-(2-furanylmethyl)- XVII.A-4
7518. 27417-39-6 1 0 0 1H-Pyrrole, methyl- XVII.A-4
7519. 96-54-8 1 1 1 1H-Pyrrole, 1-methyl- XVII.A-4
7520. 636-41-9 1 0 0 1H-Pyrrole, 2-methyl- XVII.A-4
7521. 1 0 0 1H-Pyrrole, 2-methyl-1-phenyl- XVII.A-4
7522. 616-43-3 1 0 0 1H-Pyrrole, 3-methyl- XVII.A-4
7523. 0 1 0 1H-Pyrrole, 3-methyl-4-ethyl- XVII.A-4
7524. 1 0 0 1H-Pyrrole, 3-methyl-1-phenyl- XVII.A-4
7525. 13679-79-3 1 1 1 1H-Pyrrole, 1-(3-methylbutyl)- XVII.A-4
7526. 66309-87-3 1 0 0 1H-Pyrrole, 1-(2-methyl-1-cyclohexen-1-yl)- XVII.A-4
7527. 7057-97-8 1 0 0 1H-Pyrrole, 1-(1-methylethyl)- XVII.A-4
7528. 13678-52-9 1 0 0 1H-Pyrrole, 1-[(5-methyl-2-furanyl)methyl]- XVII.A-4
7529. 78075-83-9 1 0 0 1H-Pyrrole, 2-methyl-1-(phenylmethyl)- XVII.A-4
7530. 20884-13-3 1 0 0 1H-Pyrrole, 1-(2-methylpropyl)- XVII.A-4
7531. 61480-97-5 1 0 0 1H-Pyrrole, 1-(1-oxobutyl)- XVII.A-4
7532. 699-22-9 1 0 0 1H-Pyrrole, 1-pentyl- XVII.A-4
7533. 635-90-5 1 0 0 1H-Pyrrole, 1-phenyl- XVII.A-4
273
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7534. 50691-29-7 1 0 0 1H-Pyrrole, 1-(2-phenylethyl)- XVII.A-4
7535. 5145-64-2 1 0 0 1H-Pyrrole, 1-propyl- XVII.A-4
7536. 1551-08-2 0 1 0 1H-Pyrrole, 2-propyl- XVII.A-4
7537. 71646-51-0 1 0 0 1H-Pyrrolecarbonitrile, methyl- XI-2, XVII.A-4
7538. 89145-04-0 0 1 0 1H-Pyrrolecarboxaldehyde III-12, XVII.A-4
7539. 72692-79-6 1 0 0 1H-Pyrrolecarboxylic acid, ethyl ester V-3, XVII.A-4
7540. 84499-92-3 0 1 0 1H-Pyrrole-1-acetic acid, 2-(ethoxymethyl)-5-formyl- IV.A-3, X-2, XVII.A-4
7541. 61837-43-2 0 1 0 1H-Pyrrole-1-acetic acid, 2-ethyl-5-formyl-α-(2-methylpropyl)-
IV.A-3, XVII.A-4
7542. 60026-07-5 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α-(1-methylethyl)-
IV.A-3, XVII.A-4
CHO
CH
HOOC
N
CH(CH3)2
7543. 60026-08-6 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α-(1-methylpropyl)-
IV.A-3, XVII.A-4
CHO
CH
HOOC
N
CH(CH3)-CH2-CH3
7544. 60026-09-7 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α-(2-methylpropyl)-
IV.A-3, XVII.A-4
CHO
CH
HOOC CH2-CH=(CH3)2
N
7545. 1 0 0 1H-Pyrrole-1-acetic acid, 2-formyl-5-hydroxymethyl-
α-(2-methylpropyl)-
II.A-5, IV.A-3, XVII.A-4
7546. 61837-42-1 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α,5-dimethyl- IV.A-3, XVII.A-4
7547. 61837-35-2 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α-hexyl- IV.A-3, XVII.A-4
7548. 60026-30-4 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α-methyl- IV.A-3, XVII.A-4
7549. 61837-38-5 0 1 0 1H-Pyrrole-1-butanoic acid, 2-formyl- II.A-5, IV.A-3, XVII.A-4
7550. 61837-39-6 0 1 0 1H-Pyrrole-1-butanoic acid, 2-formyl-γ-methyl- IV.A-3, XVII.A-4
7551. 61837-44-3 0 1 0 1H-Pyrrole-1-butanoic acid, 2-formyl-5-methyl- IV.A-3, XVII.A-4
7552. 61837-40-9 0 1 0 1H-Pyrrole-1-hexanoic acid, 2-formyl- IV.A-3, XVII.A-4
7553. 61837-41-0 0 1 0 1H-Pyrrole-1-octanoic acid, 2-formyl- IV.A-3, XVII.A-4
7554. 70898-32-7 0 1 0 1H-Pyrrole-1-octanoic acid, 2-formyl-5-methyl- IV.A-3, XVII.A-4
7555. 61837-37-4 0 1 0 1H-Pyrrole-1-propanoic acid, β-ethyl-2-formyl- IV.A-3, XVII.A-4
7556. 61837-36-3 0 1 0 1H-Pyrrole-1-propanoic acid, 2-formyl-β-methyl- IV.A-3, XVII.A-4
7557. 1 0 0 1H-Pyrrole-2-acetaldehyde, α-hydroxy- III-12, XVII.A-4
7558. 72693-01-7 1 0 0 1H-Pyrrole-2-acetaldehyde, α-oxo- III-13, XVII.A-4
7559. 4513-94-4 1 0 0 1H-Pyrrole-2-carbonitrile XI-2, XVII.A-4
7560. 1 0 0 1H-Pyrrole-2-carbonitrile, methyl- {2 isomers} XI-2, XVII.A-4
7561. 26173-92-2 1 0 0 1H-Pyrrole-2-carbonitrile, 5-methyl- XI-2, XVII.A-4
7562. 1003-29-8 1 1 1 1H-Pyrrole-2-carboxaldehyde III-12, XVII.A-4
7563. 13788-32-4 0 1 0 1H-Pyrrole-2-carboxaldehyde, 1-(2-furanylmethyl)- III-12, XVII.A-4
274
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7564. 13678-79-0 0 1 0 1H-Pyrrole-2-carboxaldehyde, 1-(3-methylbutyl)- III-12, XVII.A-4
7565. 1 0 0 1H-Pyrrole-2-carboxaldehyde, ethyl- III-12, XVII.A-4
7566. 2167-14-8 1 0 0 1H-Pyrrole-2-carboxaldehyde, 1-ethyl- III-12, XVII.A-4
7567. 1 0 0 1H-Pyrrole-2-carboxaldehyde, methyl- III-12, XVII.A-4
7568. 1192-58-1 1 1 1 1H-Pyrrole-2-carboxaldehyde, 1-methyl- III-12, XVII.A-4
7569. 29813-44-3 1 1 1 1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-methyl-
II.A-5, III-12, XVII.A-4
7570. 52115-69-2 0 1 0 1H-Pyrrole-2-carboxaldehyde, 5-[(acetyloxy)methyl]-
III-12, XVII.A-4
7571. 1192-79-6 1 1 1 1H-Pyrrole-2-carboxaldehyde, 5-methyl- III-12, XVII.A-4
7572. 4551-72-8 1 0 0 1H-Pyrrole-2-carboxamide XIII-1, XVII.A-4
7573. 634-97-9 1 0 0 1H-Pyrrole-2-carboxylic acid IV.A-3, XVII.A-4
7574. 3220-74-4 0 1 0 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro- IV.A-3, XVII.A-4
7575. 3757-53-7 1 0 0 1H-Pyrrole-2-carboxylic acid, 5-methyl- IV.A-3, XVII.A-4
7576. 3284-51-3 1 0 0 1H-Pyrrole-2-carboxylic acid, 5-methyl-, ethyl ester V-3, XVII.A-4
7577. 1194-97-4 1 0 0 1H-Pyrrole-2-carboxylic acid, 5-methyl-, methyl ester
V-3, XVII.A-4
7578. 1193-62-0 1 0 0 1H-Pyrrole-2-carboxylic acid, methyl ester XVII.A-4
7579. 1 0 0 1H-Pyrrole-3-acetonitrile XVII.A-4
7580. 7126-38-7 1 0 0 1H-Pyrrole-3-carbonitrile XVII.A-4
7581. 17619-39-5 1 1 1 1H-Pyrrole-3-carboxaldehyde, 2-methyl- III-12, XVII.A-4
7582. 103002-58-0 0 1 0 1H-Pyrrole-3-carboxaldehyde, 4,5-dihydro-2-methyl- III-12, XVII.A-4
7583. 78210-62-5 1 0 0 1H-Pyrrole-3-carboxaldehyde, 5-ethyl- III-12, XVII.A-4
7584. 936-12-9 1 0 0 1H-Pyrrole-3-carboxylic acid, 2-methyl-, ethyl ester V-3, XVII.A-4
7585. 487-90-1 0 1 0 1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-
IV.A-3, XII-2, XVII.A-4
7586. 541-59-3 1 1 1 1H-Pyrrole-2,5-dione {maleimide} XIV-2, XVII.A-4
7587. 29720-92-1 1 1 1 1H-Pyrrole-2,5-dione, ethylmethyl- XIV-2, XVII.A-4
7588. 128-53-0 1 0 0 1H-Pyrrole-2,5-dione, 1-ethyl- XIV-2, XVII.A-4
7589. 5997-61-5 1 0 0 1H-Pyrrole-2,5-dione, 3-ethyl- XIV-2, XVII.A-4
7590. 61892-73-7 1 0 0 1H-Pyrrole-2,5-dione, 3-(hydroxymethyl)- II.A-5, XIV-2, XVII.A-4
7591. 61892-71-5 1 0 0 1H-Pyrrole-2,5-dione, 3,4-bis(hydroxymethyl)-1-methyl-
II.A-5, XIV-2, XVII.A-4
7592. 17825-86-4 1 1 1 1H-Pyrrole-2,5-dione, 3,4-dimethyl- XIV-2, XVII.A-4
7593. 61892-72-6 1 0 0 1H-Pyrrole-2,5-dione, 3-ethyl-4-(hydroxymethyl)- II.A-5, XIV-2, XVII.A-4
7594. 20189-42-8 1 1 1 1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl- XIV-2, XVII.A-4
7595. 1072-87-3 1 0 0 1H-Pyrrole-2,5-dione, 3-methyl- XIV-2, XVII.A-4
7596. 60026-19-9 0 1 0 1H-Pyrrole-2,5-dione, 3-propyl- XIV-2, XVII.A-4
7597. 3317-61-1 1 0 0 2H-Pyrrole, 3,4-dihydro-2,2-dimethyl-, 1-oxide XVII.A-4
7598. 121197-26-0 1 0 0 2H-Pyrrole-2,4(3H)-dione, 3-butyl-5-(2-methylpropyl)-
XVII.C-1, XVII.A-4
7599. 121197-16-8 1 0 0 2H-Pyrrole-2,4(3H)-dione, 3-butyl-5-propyl- XVII.C-1, XVII.A-4
7600. 121197-27-1 1 0 0 2H-Pyrrole-2,4(3H)-dione, 3,5-bis(2-methylpropyl)- XVII.C-1, XVII.A-4
7601. 121197-23-7 1 0 0 2H-Pyrrole-2,4(3H)-dione, 3,5-dibutyl- XVII.C-1, XVII.A-4
275
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7602. 121197-14-6 1 0 0 2H-Pyrrole-2,4(3H)-dione, 3,5-dipropyl- XVII.C-1, XVII.A-4
7603. 121197-21-5 1 0 0 2H-Pyrrole-2,4(3H)-dione, 5-(2-methylpropyl)-3-propyl-
XVII.C-1, XVII.A-4
7604. 121197-24-8 1 0 0 2H-Pyrrole-2,4(3H)-dione, 5-butyl-3-(2-methylpropyl)-
XVII.C-1, XVII.A-4
7605. 121213-26-1 1 0 0 2H-Pyrrole-2,4(3H)-dione, 5-butyl-3-propyl- XVII.C-1, XVII.A-4
7606. 72692-82-1 1 0 0 1H-Pyrrolemethanol II.A-5, XVII.A-4
7607. 123-75-1 1 1 1 Pyrrolidine
NH
2
34
5
XVII.A-4
7608. 71607-78-8 1 0 0 Pyrrolidine, diethyl- XVII.A-4
7609. 71607-79-9 1 0 0 Pyrrolidine, dimethyl- XVII.A-4
7610. 1 0 0 Pyrrolidine, 2.5-dimethyl-, 1-nitroso- XV-8, XVII.A-4
7611. 71607-80-2 1 0 0 Pyrrolidine, ethyl- XVII.A-4
7612. 4030-18-6 1 1 1 Pyrrolidine, 1-acetyl- XVII.A-4
7613. 5979-94-2 1 1 1 Pyrrolidine, 1-acetyl-2-(3-pyridinyl)-, (S)- (N’-acetylnornicotine}
XIII-1, XVII.B-4, XXI-3
7614. 7335-06-0 1 0 0 Pyrrolidine, 1-ethyl- XVII.A-4
7615. 0 1 0 Pyrrolidine, 1-ethyl-2-(3-pyridinyl)- (N’-ethylnornicotine}
XVII.B-4, XXI-3
7616. 120-94-5 1 1 1 Pyrrolidine, 1-methyl- XVII.A-4
7617. 930-55-2 1 1 1 Pyrrolidine, 1-nitroso- {NPYR}
N
NO
XV-8, XVII.A-4
7618. 7335-07-1 1 0 0 Pyrrolidine, 1-propyl- XVII.A-4
7619. 91907-45-8 0 1 0 Pyrrolidine, 1-propyl-2-(3-pyridinyl)- (N’-propylnornicotine}
XVII.B-4, XXI-3
7620. 117642-93-0 0 1 0 Pyrrolidine, 1-(10-methyl-1-oxododecyl)-2-(3-pyridinyl)-
XIII-1, XVII.B-4
7621. 120376-92-3 0 1 0 Pyrrolidine, 1-(10-methyl-1-oxoundecyl)-2-(3-pyridinyl)-
XIII-1, XVII.B-4
7622. 117642-94-1 0 1 0 Pyrrolidine, 1-(10-methyl-1-oxoundecyl)-2-(3-pyridinyl)-, (S)-
XIII-1, XVII.B-4
7623. 120042-36-6 0 1 0 Pyrrolidine, 1-(11-methyl-1-oxododecyl)-2-(3-pyridinyl)-, (S)-
XIII-1, XVII.B-4
7624. 120376-93-4 0 1 0 Pyrrolidine, 1-(12-methyl-1-oxotridecyl)-2-(3-pyridinyl)-
XIII-1, XVII.B-4
7625. 69730-91-2 1 1 1 Pyrrolidine, 1-(1-oxobutyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4
7626. 115849-75-7 0 1 0 Pyrrolidine, 1-(1-oxododecyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4
7627. 74173-71-0 1 0 0 Pyrrolidine, 1-(1-oxoheptyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4
7628. 38854-09-0 1 1 1 Pyrrolidine, 1-(1-oxohexyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4
7629. 1 0 0 Pyrrolidine, 1-(1-oxo-?-octenyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4
7630. 38854-10-3 1 1 1 Pyrrolidine, 1-(1-oxooctyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4
7631. 120042-35-5 0 1 0 Pyrrolidine, 1-(1-oxotridecyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4
7632. 61893-12-7 1 0 0 Pyrrolidine, 1-(2-furanylmethyl)- X-2, XVII.A-4
276
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7633. 115849-82-6 0 1 0 Pyrrolidine, 1-(3-hydroxy-10-methyl-1-oxododecyl)-2-(3-pyridinyl)-
II.A-5, XIII-1, XVII.B-4
7634. 115849-79-1 0 1 0 Pyrrolidine, 1-(3-hydroxy-10-methyl-1-oxoundecyl)-2-(3-pyridinyl)-
II.A-5, XIII-1, XVII.B-4
7635. 116353-95-8 0 1 0 Pyrrolidine, 1-(3-hydroxy-12-methyl-1-oxotetradecyl)-2-(3-pyridinyl)-
II.A-5, XIII-1, XVII.B-4
7636. 115849-84-8 0 1 0 Pyrrolidine, 1-(3-hydroxy-12-methyl-1-oxotridecyl)-2-(3-pyridinyl)-
II.A-5, XIII-1, XVII.B-4
7637. 120042-33-3 0 1 0 Pyrrolidine, 1-(3-hydroxy-14-methyl-1-oxopentadecyl)-2-(3-pyridinyl)-
II.A-5, XIII-1, XVII.B-4
7638. 115849-80-4 0 1 0 Pyrrolidine, 1-(3-hydroxy-1-oxododecyl)-2-(3-pyridinyl)-
II.A-5, XIII-1, XVII.B-4
7639. 120042-32-2 0 1 0 Pyrrolidine, 1-(3-hydroxy-1-oxohexadecyl)-2-(3-pyridinyl)-
II.A-5, XIII-1, XVII.B-4
7640. 120042-34-4 0 1 0 Pyrrolidine, 1-(3-hydroxy-1-oxopentadecyl)-2-(3-pyridinyl)-
II.A-5, XIII-1, XVII.B-4
7641. 115849-85-9 0 1 0 Pyrrolidine, 1-(3-hydroxy-1-oxotetradecyl)-2-(3-pyridinyl)-
II.A-5, XIII-1, XVII.B-4
7642. 115849-83-7 0 1 0 Pyrrolidine, 1-(3-hydroxy-1-oxotridecyl)-2-(3-pyridinyl)-
II.A-5, XIII-1, XVII.B-4
7643. 60026-17-7 0 1 0 Pyrrolidine, 1-(3-methyl-1-oxobutyl)- XIII-1, XVII.A-4
7644. 1 0 0 Pyrrolidine, 1-(3-pyridinemethyl)-2-cyano- XVII.A-4
7645. 96552-73-7 1 0 0 Pyrrolidine, 1-(4-methyl-1-oxohexyl)-2-(3-pyridinyl)- XIII-1, XVII.B-4
7646. 77829-17-5 0 1 0 Pyrrolidine, 1-(6-hydroxy-1-oxooctyl)-2-(3-pyridinyl)- XIII-1, XVII.B-4
7647. 96574-02-6 1 0 0 Pyrrolidine, 1-(6-methyl-1-oxoheptyl)-2-(3-pyridinyl)-, (S)-
XIII-1, XVII.B-4
7648. 77829-18-6 0 1 0 Pyrrolidine, 1-(7-hydroxy-1-oxooctyl)-2-(3-pyridinyl)- XIII-1, XVII.B-4
7649. 61480-99-7 1 0 0 Pyrrolidine, 1-[(5-methyl-2-furanyl)methyl]- XVII.A-4
7650. 69730-92-3 0 1 0 Pyrrolidine, 1-[4-(dimethylamino)-1-oxobutyl]-2-(3-pyridinyl)-, (S)-
XII-2, XIII-1, XVII.B-4
7651. 1 0 0 Pyrrolidine, 2-acetyloxy-methyl- V-3, XVII.A-4
7652. 13603-04-8 1 0 0 Pyrrolidine, 2,4-dimethyl- XVII.A-4
7653. 3378-71-0 1 0 0 Pyrrolidine, 2,5-dimethyl- XVII.A-4
7654. 1003-28-7 1 0 0 Pyrrolidine, 2-ethyl- XVII.A-4
7655. 765-38-8 1 0 0 Pyrrolidine, 2-methyl- XVII.A-4
7656. 34375-89-8 1 0 0 Pyrrolidine, 3-methyl- XVII.A-4
7657. 28882-68-0 1 0 0 Pyrrolidinecarboxylic acid IV.A-3, XVII.A-4
7658. 32389-40-5 0 1 0 Pyrrolidinecarboxylic acid, oxo-, (S)- III-13, IV.A-3, XVII.A-4
7659. 29134-29-0 1 0 0 1-Pyrrolidineacetonitrile XI-2, XVII.A-4
7660. 3760-54-1 1 1 1 1-Pyrrolidinecarboxaldehyde III-12, XVII.A-4
7661. 78914-62-2 1 0 0 1-Pyrrolidinecarboxaldehyde, 2-methyl-, (R)- III-12, XVII.A-4
7662. 38840-03-8
3000-81-5
1 1 1 1-Pyrrolidinecarboxaldehyde, 2-(3-pyridinyl)-, (S)- {N’-formylnornicotine}
III-12, XVII.B-4, XXI-3
7663. 69730-90-1 0 1 0 1-Pyrrolidinecarboxylic acid, 2-(3-pyridinyl)-, ethyl ester, (S)-
V-3, XVII.B-4
7664. 56078-08-1 1 1 1 1-Pyrrolidinecarboxylic acid, 2-(3-pyridinyl)-, methyl ester, (S)-
V-3, XVII.B-4
277
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7665. 56879-46-0 0 1 0 2-Pyrrolidineacetic acid IV.A-3, XVII.A-4
7666. 0 1 0 2-Pyrrolidineacetic acid, 1-nitroso- IV.A-3, XV-8, XVII.A-4
7667. 61480-98-6 0 1 0 2-Pyrrolidinecarboxaldehyde III-12, XVII.A-4
7668. 28115-37-9 1 0 0 2-Pyrrolidinemethanol, 5-methyl-, cis- II.A-5, XVII.A-4
7669. 14498-44-3 1 0 0 2-Pyrrolidinepropanol, 1-methyl- II.A-5, XVII.A-4
7670. 60026-15-5 0 1 0 3-Pyrrolidinecarboxaldehyde, 2-methyl- III-12, XVII.A-4
7671. 121197-25-9 1 0 0 2,4-Pyrrolidinedione, 3-butyl-5-propylidene- III-13, XVII.A-4
7672. 121197-20-4 1 0 0 2,4-Pyrrolidinedione, 5-butyl-3-propylidene- III-13, XVII.A-4
7673. 121197-28-2 1 0 0 2,4-Pyrrolidinedione, 3-butylidene-5-(2-methylpropyl)-
III-13, XVII.A-4
7674. 121197-18-0 1 0 0 2,4-Pyrrolidinedione, 3-butylidene-5-propyl- III-13, XVII.A-4
7675. 121197-17-9 1 0 0 2,4-Pyrrolidinedione, 5-(2-methylpropyl)-3-(2-methylpropylidene)-
III-13, XVII.A-4
7676. 121197-22-6 1 0 0 2,4-Pyrrolidinedione, 5-(2-methylpropyl)-3-propylidene-
III-13, XVII.A-4
7677. 121197-19-1 1 0 0 2,4-Pyrrolidinedione, 3-(2-methylpropylidene)-5-propyl-
III-13, XVII.A-4
7678. 121197-15-7 1 0 0 2,4-Pyrrolidinedione, 5-propyl-3-propylidene- III-13, XVII.A-4
7679. 123-56-8 1 1 1 2,5-Pyrrolidinedione {succinimide}
O ONH
1 2
34
5
XIV-1, XVII.A-4
7680. 15542-96-8 1 0 0 2,5-Pyrrolidinedione, 1,3-dimethyl- XIV-1, XVII.A-4
7681. 33425-47-7 1 0 0 2,5-Pyrrolidinedione, 3,4-dimethyl- XIV-1, XVII.A-4
7682. 5835-19-8
58467-27-9
1 0 0 2,5-Pyrrolidinedione, 3-ethyl- XIV-1, XVII.A-4
7683. 1 0 0 2,5-Pyrrolidinedione, ethyl-methyl- XIV-1, XVII.A-4
7684. 15542-97-9 1 1 1 2,5-Pyrrolidinedione, 3-ethyl-1-methyl- XIV-1, XVII.A-4
7685. 77-67-8 1 1 1 2,5-Pyrrolidinedione, 3-ethyl-3-methyl- XIV-1, XVII.A-4
7686. 1 1 1 2,5-Pyrrolidinedione, 3-ethyl-4-methyl- XIV-1, XVII.A-4
7687. 16824-61-6 1 1 1 2,5-Pyrrolidinedione, 3-ethyl-4-methyl-, (Z)- XIV-1, XVII.A-4
7688. 1 0 0 2,5-Pyrrolidinedione, 3-ethylene-4-methyl- XIV-1, XVII.A-4
7689. 14156-12-8 1 0 0 2,5-Pyrrolidinedione, 3-ethylidene- XIV-1, XVII.A-4
7690. 61892-74-8 1 0 0 2,5-Pyrrolidinedione, 3-ethylidene-1-methyl- XIV-1, XVII.A-4
7691. 16395-79-2 1 1 1 2,5-Pyrrolidinedione, 3-ethylidene-4-methyl- XIV-1, XVII.A-4
7692. 18366-19-3 1 0 0 2,5-Pyrrolidinedione, 3-hydroxy- (S) II.A-5, XIV-1, XVII.A-4
7693. 1121-07-9 1 1 1 2,5-Pyrrolidinedione, 1-methyl- XIV-1, XVII.A-4
7694. 5615-90-7 1 1 1 2,5-Pyrrolidinedione, 3-methyl- XIV-1, XVII.A-4
7695. 72693-03-9 1 0 0 2,5-Pyrrolidinedione, 3-(1-methylethyl)- XIV-1, XVII.A-4
7696. 15542-99-1 1 0 0 2,5-Pyrrolidinedione,1-methyl-3-(1-methylethyl)- XIV-1, XVII.A-4
7697. 71099-03-1 1 1 1 2,5-Pyrrolidinedione, 1,3,4-trimethyl- XIV-1, XVII.A-4
7698. 25110-79-6 1 0 0 2-Pyrrolidinol, 1-methyl-5-(3-pyridinyl)- XVII.B-4
7699. 28261-54-3 1 0 0 Pyrrolidinone XVII.A-4
278
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7700. 616-45-5 1 1 1 2-Pyrrolidinone {γ-butyrolactam}
NH
O12
34
5
XVII.A-4, XVII.C-1
7701. 1 0 0 2-Pyrrolidinone, 1,?-dimethyl- XVII.A-4, XVII.C-1
7702. 872-50-4 1 1 1 2-Pyrrolidinone, 1-methyl- XVII.A-4, XVII.C-1
7703. 2555-05-7 1 0 0 2-Pyrrolidinone, 3-methyl- XVII.A-4, XVII.C-1
7704. 2996-58-9 1 1 1 2-Pyrrolidinone, 4-methyl- XVII.A-4, XVII.C-1
7705. 108-27-0 1 0 0 2-Pyrrolidinone, 5-methyl- XVII.A-4, XVII.C-1
7706. 75202-09-4 1 0 0 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)- XVII.B-4, XVII.C-1
7707. 486-56-6 1 1 1 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)- {cotinine}
N
NO
CH3
XVII.B-4, XVII.C-1
7708. 1 0 0 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, 1-oxide {cotinine 1-oxide}
XVII.B-4, XVII.C-1
7709. 61892-90-8 1 0 0 2-Pyrrolidinone, 1-(2-oxopropyl)- XVII.A-4, XVII.C-1
7710. 5980-06-3 1 0 0 2-Pyrrolidinone, 5-(3-pyridinyl)-, (S)- {norcotinine}
XVII.B-4, XVII.C-1
7711. 98-79-3 0 1 0 5-Pyrrolidinone-2-carboxylic acid {5-oxoproline} IV.A-3, XVII.A-4, XVII.C-1
ONH
COOH
7712. 61892-89-5 1 0 0 3-Pyrrolidinone, 1-methyl-5-(2-oxopropyl)- XVII.A-4
7713. 18028-53-0 1 0 0 2H-Pyrrolium, 3,4-dihydro-1-methyl-, chloride XVII.A-4, XVIII.B-3
7714. 17266-64-7 1 0 0 1H-Pyrrolizin-1-one, 2,3-dihydro-
N
O
III-13
7715. 13939-91-8 1 0 0 1H-Pyrrolo[1,2-c]imidazole-1,3(2H)-dione
N
O
O
N-H
XIV-1
7716. 5768-79-6 1 0 0 1H-Pyrrolo[1,2-c]imidazole-1,3(2H)-dione, tetrahydro-
N
O
O
N-H
XIV-1
7717. 54036-77-0 1 0 0 2H-Pyrrol-2-one XVII.A-4, XVII.C-1
7718. 62003-47-8 1 0 0 2H-Pyrrol-2-one, 1,3-dihydro-5-(3-pyridinyl)- XVII.B-4, XVII.C-1
7719. 4031-15-6 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro- XVII.A-4, XVII.C-1
7720. 13950-21-5 0 1 0 2H-Pyrrol-2-one, 1,5-dihydro-1-methyl- XVII.A-4, XVII.C-1
7721. 78210-72-7 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-1-methyl-5-(1-methylethylidene)-
XVII.A-4, XVII.C-1
7722. 4030-23-3 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-3,4,5-trimethyl- XVII.A-4, XVII.C-1
7723. 4030-22-2 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-3,4-dimethyl- XVII.A-4, XVII.C-1
7724. 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-3,5-dimethyl- XVII.A-4, XVII.C-1
279
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7725. 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-3,5-dimethyl-4-ethyl- XVII.A-4, XVII.C-1
7726. 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-4,5-dimethyl-3-ethyl- XVII.A-4, XVII.C-1
7727. 27406-77-5 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-3-methyl- XVII.A-4, XVII.C-1
7728. 61892-80-6 1 0 0 2H-Pyrrol-2-one, 1-acetyl-3-ethyl-1,5-dihydro-4-methyl-
XVII.A-4, XVII.C-1
7729. 766-36-9 1 0 0 2H-Pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl- XVII.A-4, XVII.C-1
7730. 78210-71-6 1 0 0 2H-Pyrrol-2-one, 3-ethyl-1,5-dihydro-5-methylene- XVII.A-4, XVII.C-1
7731. 115600-67-4 1 0 0 2H-Pyrrol-2-one, 4-ethyl-1,5-dihydro- XVII.A-4, XVII.C-1
7732. 4030-24-4 1 0 0 2H-Pyrrol-2-one, 4-ethyl-1,5-dihydro-3,5-dimethyl- XVII.A-4, XVII.C-1
7733. 766-45-0 1 0 0 2H-Pyrrol-2-one, 4-ethyl-1,5-dihydro-3-methyl- XVII.A-4, XVII.C-1
7734. 60026-28-0 0 1 0 1H-Pyrrolo[2,1-c][1,4]oxazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-4-(phenylmethyl)-
CHO
O
O
N
CH2
III-12, VI-3, XVII.D-2
7735. 35674-33-0 0 1 0 1H-Pyrrolo[2,1-c][1,4]oxazine-6-carboxaldehyde, 3,4-dihydro-4-methyl-3-oxo-
CHO
CH3
O
O
N
III-12, VI-3, XVII.D-2
7736. 274-45-3 1 0 0 Pyrrolo[1,2-a]pyrazine
N
N
XVII.E-6
7737. 19179-12-5 1 0 0 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro- XVII.C-1
7738. 19943-28-3 1 0 0 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-methyl-, (3R-trans)-
XVII.C-1
7739. 5654-86-4 1 0 0 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-
XVII.C-1
7740. 26626-89-1 1 0 0 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-propyl-, (3S-trans)-
XVII.C-1
7741. 1 0 0 Pyrrolo[1,2-a]pyridine XVII.E-6
7742. 271-63-6 1 0 0 1H-Pyrrolo[2,3-b]pyridine {7-azaindole}
N NH
XVII.E-6
7743. 1 0 0 1H-Pyrrolo[2,3-b]pyridine, C3-alkyl- XVII.E-6
7744. 1 0 0 1H-Pyrrolo[2,3-b]pyridine, diethyl- XVII.E-6
7745. 78249-85-1 1 0 0 1H-Pyrrolo[2,3-b]pyridine, ethyl- XVII.E-6
7746. 72692-80-9 1 0 0 1H-Pyrrolo[2,3-b]pyridine, methyl-
{at least 4 methyl isomers other than the 1- and 2- methyl- compounds}
XVII.E-6
7747. 27257-15-4 1 0 0 1H-Pyrrolo[2,3-b]pyridine, 1-methyl- XVII.E-6
7748. 23612-48-8 1 0 0 1H-Pyrrolo[2,3-b]pyridine, 2-methyl- XVII.E-6
7749. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, diethyl- XVII.E-6
7750. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, dimethyl- XVII.E-6
7751. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, ethyl-methyl- XVII.E-6
7752. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, (1-methylethyl)- XVII.E-6
280
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7753. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, methyl-(1-methylethyl)- XVII.E-6
7754. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, pentamethyl- XVII.E-6
7755. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, trimethyl- XVII.E-6
7756. 1 0 0 Pyrroloquinoline XVII.E-6
7757. 1 0 0 Pyrroloquinoline, dimethyl- XVII.E-6
7758. 1 0 0 Pyrroloquinoline, methyl- XVII.E-6
7759. 1 0 0 Pyrroloquinoline, trimethyl- XVII.E-6
7760. 268-91-7 1 0 0 1H-Pyrrolo[2,3-b]quinoline
N NH
XVII.E-6
7761. 33-36-3 1 0 0 1H-Pyrrolo[2,3-f]quinoline
N
HN
XVII.E-6
7762. 232-85-9 1 0 0 3H-Pyrrolo[3,2-f]quinoline NH
N
XVII.E-6
7763. 29036-02-0 1 0 0 Quaterphenyl I.D-1
7764. 253-82-7 1 0 0 Quinazoline {1,3-benzodiazine}
XVII.E-6
7765. 64811-59-2 1 0 0 Quinazoline, dihydro- XVII.E-6
7766. 64828-47-3 1 0 0 Quinazoline, ethyl- XVII.E-6
7767. 64828-48-4 1 0 0 Quinazoline, methyl- XVII.E-6
7768. 700-46-9 1 0 0 Quinazoline, 4-methyl- XVII.E-6
7769. 580-22-3 1 0 0 2-Quinolinamine XII-2
7770. 91-22-5 1 1 1 Quinoline {1-azanaphthalene}
XVII.E-6
7771. 1 0 0 Quinoline, C3-alkyl- XVII.E-6
7772. 1 0 0 Quinoline, alkyl-2-methyl- XVII.E-6
7773. 1 0 0 Quinoline, alkyl-3-methyl- XVII.E-6
7774. 1 1 1 Quinoline, alkyl-4-methyl- XVII.E-6
7775. 611-34-7 1 0 0 Quinoline, 5-amino- XII-2
7776. 0 1 0 Quinoline, 5-amino-6,8-dimethoxy- X-2, XII-2
7777. 0 1 0 Quinoline, 5-amino-2-hydroxymethyl-6-methoxy- II.A-5, X-2, XII-2
7778. 53452-65-6 1 0 0 Quinoline, butyl- XVII.E-6
7779. 29968-14-7 1 0 0 Quinoline, dihydro- XVII.E-6
7780. 65312-76-7 1 0 0 Quinoline, dihydroethyl- XVII.E-6
7781. 65312-78-9 1 0 0 Quinoline, dihydromethyl- XVII.E-6
7782. 28351-04-4 1 0 0 Quinoline, dimethyl- XVII.E-6
7783. 26190-82-9 1 0 0 Quinoline, 2,5-dimethyl- XVII.E-6
281
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7784. 877-43-0 1 0 0 Quinoline, 2,6-dimethyl- XVII.E-6
7785. 1463-17-8 1 0 0 Quinoline, 2,8-dimethyl- XVII.E-6
7786. 1 0 0 Quinoline, 3.6-dimethyl- XVII.E-6
7787. 2623-50-9 1 0 0 Quinoline, 5,8-dimethyl- XVII.E-6
7788. 53123-73-2 1 0 0 Quinoline, ethyl- XVII.E-6
7789. 1613-34-9 1 0 0 Quinoline, 2-ethyl- XVII.E-6
7790. 19020-26-9 1 0 0 Quinoline, 4-ethyl- XVII.E-6
7791. 78249-84-0 1 0 0 Quinoline, ethyl-5,6,7,8-tetrahydro- XVII.E-6
7792. 56717-33-0 1 0 0 Quinoline, 2-ethyl-5,6,7,8-tetrahydro- XVII.E-6
7793. 27601-00-9 1 0 0 Quinoline, methyl- XVII.E-6
7794. 65312-74-5 1 0 0 Quinoline, methyltetrahydro- XVII.E-6
7795. 78249-82-8 1 0 0 Quinoline, methyl-1,2,3,4-tetrahydro-
{several isomers present in MSS}
XVII.E-6
7796. 78249-83-9 1 0 0 Quinoline, methyl-5,6,7,8-tetrahydro- XVII.E-6
7797. 91-63-4 1 0 0 Quinoline, 2-methyl- XVII.E-6
7798. 2617-98-3 1 0 0 Quinoline, 2-methyl-5,6,7,8-tetrahydro- XVII.E-6
7799. 612-58-8 1 0 0 Quinoline, 3-methyl- XVII.E-6
7800. 491-35-0 1 1 1 Quinoline, 4-methyl- XVII.E-6
7801. 7661-55-4 1 0 0 Quinoline, 5-methyl- XVII.E-6
7802. 91-62-3 1 0 0 Quinoline, 6-methyl- XVII.E-6
7803. 612-60-2 1 0 0 Quinoline, 7-methyl- XVII.E-6
7804. 611-32-5 1 0 0 Quinoline, 8-methyl- XVII.E-6
7805. 1333-53-5 1 0 0 Quinoline, (1-methylethyl)- XVII.E-6
7806. 64828-52-0 1 0 0 Quinoline, propyl- XVII.E-6
7807. 29832-78-8 1 0 0 Quinoline, tetrahydro- XVII.E-6
7808. 635-46-1 1 0 0 Quinoline, 1,2,3,4-tetrahydro- XVII.E-6
7809. 10500-57-9 1 0 0 Quinoline, 5,6,7,8-tetrahydro- XVII.E-6
7810. 76602-27-2 1 0 0 Quinoline, tetramethyl- XVII.E-6
7811. 51366-52-0 1 0 0 Quinoline, trimethyl- XVII.E-6
7812. 4945-28-2 1 0 0 Quinoline, 2,3,8-trimethyl- XVII.E-6
7813. 2739-16-4 0 1 0 1(2H)-Quinolinecarboxaldehyde, 3,4-dihydro- III-12
7814. 4363-93-3 0 1 0 4-Quinolinecarboxaldehyde III-12
7815. 64850-00-6 1 0 0 Quinolinecarbonitrile XI-2
7816. 59551-02-9 1 0 0 5-Quinolinecarbonitrile XI-2
7817. 23395-72-4 1 0 0 6-Quinolinecarbonitrile XI-2
7818. 67360-38-7 1 0 0 7-Quinolinecarbonitrile XI-2
7819. 3778-29-8 0 1 0 2-Quinolinecarboxylic acid, 4,6-dihydroxy-
{6-hydroxykynurenic acid}
IV.A-3, IX.A-22
7820. 0 1 0 2,3-Quinolinedicarboxylic acid IV.A-3
282
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7821. 148-24-3 1 0 0 8-Quinolinol
N
OH
IX.A-22
7822. 13207-66-4 0 1 0 8-Quinolinol, 5-amino- IX.A-22, XII-2
7823. 5541-68-4 1 0 0 8-Quinolinol, 7-methyl- IX.A-22
7824. 91-19-0 1 0 0 Quinoxaline {1,4-benzodiazine}
XVII.E-6
7825. 64811-58-1 1 0 0 Quinoxaline, dihydro- XVII.E-6
7826. 72692-77-4 1 0 0 Quinoxaline, dimethyl- XVII.E-6
7827. 64828-46-2 1 0 0 Quinoxaline, ethyl- XVII.E-6
7828. 64828-56-4 1 0 0 Quinoxaline, methyl- XVII.E-6
7829. 7251-61-8 1 0 0 Quinoxaline, 2-methyl- XVII.E-6
7830. 38917-65-6 1 0 0 Quinoxaline, 2-methyl- 5,6,7,8-tetrahydro- XVII.E-6
7831. 13708-12-8 0 1 0 Quinoxaline, 5-methyl- XVII.E-6
7832. 34413-35-9 1 1 1 Quinoxaline, 5,6,7,8-tetrahydro- XVII.E-6
7833. 72692-78-5 1 0 0 Quinoxaline, trimethyl- XVII.E-6
7834. 1 0 0 Radicals, free {GENERAL DISCUSSION} XXVII-1
7835. 13982-63-3 1 1 1 Radium, isotope of mass 226 226
Ra XX-5
7836. 10043-92-2 1 0 0 Radon Rn XX-5
7837. 14859-67-7 1 1 1 Radon, isotope of mass 222 226
Rn XX-5
7838. 9037-80-3 0 1 0 Reductase XXII-2
7839. 9028-31-3 0 1 0 Reductase, aldose XXII-2
7840. 9023-03-4 0 1 0 Reductase, cytochrome c (reduced nicotinamide adenine dinucleotide phosphate)
XXII-2
7841. 37256-44-3 0 1 0 Reductase, ferredoxin-nitrite XXII-2
7842. 9001-48-3 0 1 0 Reductase, glutathione XXII-2
7843. 9028-32-4 0 1 0 Reductase, glyoxylate XXII-2
7844. 9032-06-8 0 1 0 Reductase, hydroxylamine XXII-2
7845. 9028-35-7 0 1 0 Reductase, hydroxymethylglutaryl coenzyme A (reduced nicotinamide adenine dinucleotide phosphate)
XXII-2
7846. 9013-03-0 0 1 0 Reductase, nitrate XXII-2
7847. 9029-27-0 0 1 0 Reductase, nitrate (reduced nicotinamide adenine dinucleotide (phosphate))
XXII-2
7848. 9080-03-9 0 1 0 Reductase, nitrite XXII-2
7849. 9029-29-2 0 1 0 Reductase, nitrite (reduced nicotinamide adenine dinucleotide (phosphate))
XXII-2
7850. 9029-17-8 0 1 0 Reductase, pyrroline-5-carboxylate XXII-2
7851. 51848-43-2 0 1 0 Retine XXII-2
7852. 0 1 0 Rhamnitol H3C-(CHOH)4-CH2OH II.A-5
7853. 0 1 0 Rhamnitol, 2,4-di-O-methyl- II.A-5, X-2
7854. 0 1 0 Rhamnitol, 3,4-di-O-methyl- II.A-5, X-2
283
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7855. 0 1 0 Rhamnitol, 3-O-methyl- II.A-5, X-2
7856. 0 1 0 Rhamnitol, 2,3,4-tri-O-methyl- II.A-5, X-2
7857. 7440-15-5 1 1 1 Rhenium Re XX-5
7858. 7440-16-6 1 1 1 Rhodium Rh XX-5
7859. 83-88-5 0 1 0 Riboflavin HO
HOOH
OH
O
O
N
N N
NH
H3C
H3C
II.A-5, XVII.C-1
7860. 146-17-8 0 1 0 Riboflavin 5'-(dihydrogen phosphate) II.A-5, XVII.C-1
7861. 106777-19-9 0 1 0 D-Ribonic acid, 2-C-[(phosphonooxy)methyl]- II.A-5
7862. 27442-42-8 0 1 0 D-Ribonic acid, 2-C-[(phosphonooxy)methyl]-, 5-(dihydrogen phosphate)
II.A-5
7863. 0 1 0 Ribonucleic acid XXII-2
7864. 9067-16-7 0 1 0 Ribonucleic acid (Bombyx mori fibroin-specifying messenger)
XXII-2
7865. 139872-63-2 0 1 0 Ribonucleic acid (tobacco clone .lambda.5A gene RB7 protein-specifying 1524-nucleotide messenger)
XXII-2
7866. 139872-64-3 0 1 0 Ribonucleic acid (tobacco clone .lambda.5A gene RB7 protein-specifying 1549-nucleotide messenger)
XXII-2
7867. 128285-01-8 0 1 0 Ribonucleic acid (tobacco clone .lambda.CHN17 chitinase basic isoenzyme-specifying messenger)
XXII-2
7868. 9014-25-9 0 1 0 Ribonucleic acids, transfer XXII-2
7869. 3615-55-2 0 1 0 Ribose, 5-(dihydrogen phosphate) II.A-5, III-12
7870. 50-69-1 0 1 0 D-Ribose HO-H2C
OH
HO OH
O
II.A-5, III-12
7871. 533-67-5 0 1 0 D-Ribose, 2-deoxy- II.A-5, III-12
7872. 24259-59-4 0 1 0 L-Ribose II.A-5, III-12
7873. 197-61-5 1 0 0 Rubicene
I.E-6
7874. 7440-17-7 1 1 1 Rubidium Rb XX-5
7875. 22537-38-8 0 1 0 Rubidium, ion Rb+1
XX-5
7876. 7440-18-8 1 1 1 Ruthenium Ru XX-5
7877. 7440-19-9 1 1 1 Samarium Sa XX-5
7878. 129990-04-1 0 1 0 Saponin B, from tobacco
7879. 7440-20-2 1 1 1 Scandium Sc XX-5
7880. 13967-63-0 1 1 1 Scandium, isotope of mass 46 46
Sc XX-5
7881. 14391-97-0 0 1 0 Scandium, isotope of mass 49 49
Sc XX-5
284
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7882. 7782-49-2 1 1 1 Selenium Se XX-5
7883. 14265-71-5 1 1 1 Selenium, isotope of mass 75 75
Se XX-5
7884. 6898-95-9 1 1 1 Serine HO-CH2-CH(NH2)-COOH
II.A-5, IV.A-3, IV.B-7, XII-2
7885. 35688-48-3 0 1 0 D-Serine, N-(carboxyacetyl)- II.A-5, IV.A-3, IV.B-7, XII-2
7886. 56-45-1 0 1 0 L-Serine II.A-5, IV.A-3, IV.B-7, XII-2
7887. 5147-00-2 0 1 0 L-Serine, acetate (ester) H3C-COO-CH2-CH(NH2)-COOH
IV.A-3, IV.B-7, V-3, XII-2
7888. 5692-15-9 0 1 0 L-Serine, labeled with 14
C IV.A-3, IV.B-7, XII-2
7889. 142785-07-7 0 1 0 L-Serine, L-alanyl-L-prolyl-L-isoleucyl-L-prolylglycyl-L-valyl-L-methionyl-L-prolyl-L-isoleucylglycyl-L-asparaginyl-L-tyrosyl-L-valyl-
IV.A-3, IV.B-7, XIII-1
7890. 146440-48-4 0 1 0 L-Serine, L-methionyl-L-alanyl-L-lysyl-L-alanyl-L-leucyl-L-valyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-leucyl-L-seryl-L-valyl-L-leucyl-L-leucyl-L-leucyl-L-seryl-L-seryl-L-phenylalanyl-L-threonyl-L-valyl-L-valyl-L-leucyl-
IV.A-3, IV.B-7, XIII-1
7891. 7631-86-9 1 1 1 Silica SiO2 XX-5
7892. 19088-13-2 0 1 0 Silicic acid, aluminum salt Al2(SiO3)3 XX-6
7893. 7440-21-3 1 1 1 Silicon Si XX-5
7894. 12141-45-6 1 0 0 Sillimanite Al2O(SiO4) XX-6
7895. 7440-22-4 1 1 1 Silver Ag XX-5
7896. 14391-76-5 1 1 1 Silver, isotope of mass 110 110
Ag XX-5
7897. 7440-23-5 1 1 1 Sodium Na XX-5
7898. 7647-14-5 0 1 0 Sodium chloride NaCl XX-6
7899. 1310-73-2 0 1 0 Sodium hydroxide NaOH XX-6
7900. 1313-59-3 0 1 0 Sodium oxide Na2O XX-6
7901. 17341-25-2 0 1 0 Sodium, ion Na+1
XX-5
7902. 16759-28-7 0 1 0 Sodium, isotope mass 24 24
Na XX-5
7903. 62574-27-0 0 1 0 Spiro[4.5]dec-6-en-8-one, 2-[1-[(β-D-glucopyranosyloxy)methyl]ethenyl]-6,10-dimethyl-
O
CH3
CH2
2
3
4
5
67
8
910
1
CH3
OGlu
II.A-5, III-13
7904. 62574-29-2 0 1 0 Spiro[4.5]dec-6-en-8-one, 2-[2-(β-D-glucopyranosyloxy)-1-hydroxy-1-methylethyl]-6,10-dimethyl-
O
CH3
2
3
4
5
67
8
910
1
CH3
CH3
OHGluO
II.A-5, III-13
7905. 62623-87-4 0 1 0 Spiro[4.5]dec-6-en-8-one, 2-[2-(β-D-glucopyranosyloxy)-1-hydroxy-1-methylethyl]-6,10-dimethyl-
II.A-5, III-13
285
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7906. 54878-25-0 0 1 0 Spiro[4.5]dec-6-en-8-one, 6,10-dimethyl-2-(1-
methylethenyl)-, [2R-[2α,5α(R*)]]-
CH3
CH2
H3C
CH3
O
III-13
7907. 0 1 0 Spiro[4.5]dec-6-en-8-one, 6,10-dimethyl-3-hydroxy-2-(1-methylethyl)-
II.A-5, III-13
7908. 18444-79-6 0 1 0 Spiro[4.5]dec-6-en-8-one, 6,10-dimethyl-2-(1-methylethylidene)-, (5R-cis)-
III-13
7909. 62574-25-8 0 1 0 Spiro[4.5]dec-6-en-8-one, 9-(β-D-glucopyranosyloxy)-6,10-dimethyl-2-(1-
methylethenyl)-, [5S-[5α(S*),9α,10β]]-
O
CH3
H3C
CH2
GluO2
3
4
5
67
8
910
1
CH3
II.A-5, III-13
7910. 62623-88-5 0 1 0 Spiro[4.5]dec-6-en-8-one, 9-hydroxy-6,10-dimethyl-
2-(1-methylethenyl)-, [5S-[5α(S*),9α,10β]]-
O
CH3
2
3
4
5
67
8
910
1
CH3
HO
CH2
H3C
II.A-5, III-13
7911. 55784-90-2 0 1 0 Spiro[4.5]decane-6-carboxaldehyde, 8,9-dihydroxy-10-methyl-2-(1-methylethenyl)-, [5S-
[5α(S*),6β,8β,9α,10β]]- CH3
2
3
4
5
67
8
910
1
CH2
H3C
CH=OHO
HO
II.A-5, III-12
7912. 35951-50-9 0 1 0 Spiro[4.5]decane-6-carboxaldehyde, 8-hydroxy-10-methyl-2-(1-methylethenyl)-, [5S-
[5α(S*),6β,8β,10β]]-
CH3
2
3
4
5
67
8
910
1
CH2
H3C
CH=OHO
II.A-5, III-12
7913. 162188-94-5 0 1 0 Spiro[benzofuran-6(2H),2'-[1,3]dioxolan]-2-one,
4,5,7,7a-tetrahydro-4,4,7a-trimethyl-, (±)-
X-2
7914. 5989-24-2 0 1 0 Spiro[furan-2(3H),2'(1'H)-naphtho[2,1-b]furan]-5(4H)-one, decahydro-3,3'a,6',6',9'a-pentamethyl-
{α-levantenolide}
O
O
O
H3C CH3
CH3
CH3
H3C
.......
VI-3, X-2
7915. 30987-48-5 0 1 0 Spiro[furan-2(5H),2'(1'H)-naphtho[2,1-b]furan]-5-one, 3'a,4',5',5'a,6',7',8',9',9'a,9'b-decahydro-3,3'a,6',6',9'a-pentamethyl-, [2'S-
(2'α,3'aα,5'aβ,9'aα,9'bβ)]- {β-levantenolide} O
H3C CH3
CH3
CH3
CH3
O
O
.......
VI-3, X-2
286
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7916. 0 1 0 Spiro[furan-2(5H),2'(1'H)-naphtho[2,1-b]furan]-5-one, dodecahydro-3,3'a,6',6',9'a-pentamethyl-
{α2-levantanolide}
CH3H3C
CH3O
CH3
O
CH3
O
VI-3, X-2
7917. 9005-25-8 0 1 0 Starch VIII-3
7918. 39341-47-4 0 1 0 Starch, labeled with 13
C, labeled with 13
C {starch-
13C}
VIII-3
7919. 70226-57-2 0 1 0 Starch, labeled with 14
C, labeled with 14
C {starch-
14C}
VIII-3, XXV-29
7920. 83-46-5 1 1 1 Stigmast-5-en-3-ol, (3β)- {β-sitosterol} II.B-2
HC-CH2CH2-CHCH=(CH3)2
CH3
HO
H3C
H3C
CH2CH3
7921. 83-47-6 1 1 1 Stigmast-5-en-3-ol, (3β, 24S))- {γ-sitosterol} II.B-2
7922. 3177-92-2 1 1 1 Stigmast-5-en-3-ol, 9,12,15-octadecatrienoate,
[3β(9Z,12Z,15Z)]- {β-sitosteryl linolenate}
V-3
7923. 3577-13-7 1 1 1 Stigmast-5-en-3-ol, 9,12-octadecadienoate,
[3β(Z,Z)]- {β-sitosteryl linoleate}
V-3
7924. 3712-16-1 1 1 1 Stigmast-5-en-3-ol, 9-octadecenoate, [3β(Z)]-
{β-sitosteryl oleate}
V-3
7925. 41005-65-6 1 1 1 Stigmast-5-en-3-ol, dodecanoate, (3β)-
{β-sitosteryl laurate}
V-3
7926. 2308-85-2 1 1 1 Stigmast-5-en-3-ol, hexadecanoate, (3β)-
{β-sitosteryl palmitate}
V-3
7927. 34137-25-2 1 1 1 Stigmast-5-en-3-ol, octadecanoate, (3β)-
{β-sitosteryl stearate}
V-3
7928. 10473-40-2 1 1 1 Stigmast-5-en-3-ol, tetradecanoate, (3β)-
{β-sitosteryl myristate}
V-3
7929. 6869-99-4 0 1 0 Stigmast-7-en-3-ol, (3β)- II.B-2
7930. 521-03-9 0 1 0 Stigmast-7-en-3-ol, (3β,5α)- II.B-2
7931. 102491-96-3 1 1 1 Stigmasta-3,5,22-triene, (22E)- I.C-1
7932. 81531-12-6 1 1 1 Stigmasta-3,5,22-triene, (22E,24ξ)- I.C-1
7933. 86709-50-4 1 1 1 Stigmasta-3,5,24(28)-triene I.C-1
7934. 79897-80-6 1 1 1 Stigmasta-3,5-diene, (24ξ)- I.C-1
R
R = -CH=CH-CH(C2H5)-CH(CH3)2
287
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7935. 83-48-7 1 1 1 Stigmasta-5,22-dien-3-ol, (3β,22E)- {stigmasterol} II.B-2 CH3
CH3
CH3
H3C
HO
CH3
CH3
7936. 71607-87-9 1 1 1 Stigmasta-5,22-dien-3-ol, 9,12,15-
octadecatrienoate, [3β(Z,Z,Z),22E]- {stigmasteryl linolenate}
II.B-2
7937. 71278-15-4 1 1 1 Stigmasta-5,22-dien-3-ol, 9,12-octadecadienoate,
[3β(9Z,12Z),22E]-
{stigmasteryl linoleate}
V-3
7938. 31615-93-7 1 1 1 Stigmasta-5,22-dien-3-ol, 9-octadecenoate,
[3β(Z),22E]- {stigmasteryl oleate}
V-3
7939. 20242-97-1 1 1 1 Stigmasta-5,22-dien-3-ol, dodecanoate, (3β,22E)- {stigmasteryl laurate}
V-3
7940. 2308-84-1 1 1 1 Stigmasta-5,22-dien-3-ol, hexadecanoate, (3β,22E)- {stigmasteryl palmitate}
V-3
7941. 23838-16-6 1 1 1 Stigmasta-5,22-dien-3-ol, octadecanoate, (3β,22E)- {stigmasteryl stearate}
V-3
7942. 20242-98-2 1 1 1 Stigmasta-5,22-dien-3-ol, tetradecanoate, (3β,22E)- {stigmasteryl myristate}
V-3
7943. 18472-36-1 1 1 1 Stigmasta-5,24(28)-dien-3-ol, (3β)- II.B-2
7944. 17605-67-3 1 0 0 Stigmasta-5,24(28)-dien-3-ol, (3β,24E)- II.B-2
7945. 481-14-1 0 1 0 Stigmasta-5,24(28)-dien-3-ol, (3β,24Z)- II.B-2
7946. 2364-23-0 0 1 0 Stigmasta-5,25-dien-3-ol, (3β,24S)- II.B-2
7947. 7212-91-1 0 1 0 Stigmasta-7,24(28)-dien-3-ol, (3β,5α)- II.B-2
7948. 23290-26-8 0 1 0 Stigmasta-7,24(28)-dien-3-ol, (3β,5α,24Z)- II.B-2
7949. 474-40-8 1 1 1 Stigmasta-7,24(28)-dien-3-ol, 4-methyl-,
(3β,4α,5α,24Z)- {α-sitosterol}
II.B-2
HO
CH3
H3C
HC-CH2CH2-C=CH-CH3
CH3 CH=(CH3)2
H3C
7950. 120056-15-7 1 0 0 Stigmasta-7,24(28)-dien-3-ol, 4-methyl-, (3β,5α)- II.B-2
7951. 11040-28-1 1 1 1 Stigmasta-7,24(28)-dien-3-ol, 4-methyl-, (3β,5α)- II.B-2
7952. 34350-85-1 0 1 0 Stigmasta-8,14,24(28)-trien-3-ol, (3β,5α)- II.B-2
7953. 159169-58-1 0 1 0 Stigmasta-8,14,24(28)-trien-3-ol, 4-methyl-,
(3β,4α,5α)-
II.B-2
7954. 34347-65-4 0 1 0 Stigmasta-8,14-dien-3-ol, (3β,5α)- II.B-2
7955. 159169-57-0 0 1 0 Stigmasta-8,24(28)-dien-3-ol, 4,14-dimethyl-,
(3β,4α,5α)-
II.B-2
7956. 57-92-1 0 1 0 Streptomycin XXI-3
7957. 7440-24-6 1 1 1 Strontium Sr XX-5
288
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7958. 14158-27-1 0 1 0 Strontium, isotope of mass 89 89
Sr XX-5
7959. 10098-97-2 0 1 0 Strontium, isotope of mass 90 90
Sr XX-5
7960. 14808-79-8 1 1 1 Sulfate SO4-2 XVIII.A-1, XX-5
7961. 18496-25-8 1 1 1 Sulfide S-2 XVIII.A-1, XX-5
7962. 14265-45-3 1 1 1 Sulfite SO3-2 XVIII.A-1, XX-5
7963. 7704-34-9 1 1 1 Sulfur S XVIII.A-1, XX-5, XXI-3
7964. 7446-09-5 1 0 0 Sulfur dioxide SO2 XVIII.A-1
7965. 2551-62-4 0 1 0 Sulfur hexafluoride SF6 XVIII.B-3
7966. 7446-11-9 1 0 0 Sulfur trioxide S03 XVIII.A-1
7967. 7664-93-9 0 1 0 Sulfuric acid H2SO4 XVIII.A-1, XX-6, XXI-3
7968. 7778-80-5 0 1 0 Sulfuric acid, dipotassium salt K2SO4 XVIII.A-1, XX-6
7969. 7757-82-6 0 1 0 Sulfuric acid, disodium salt Na2SO4 XVIII.A-1, XX-6
7970. 7757-83-7 0 1 0 Sulfurous acid, disodium salt Na2SO3 XVIII.A-1, XX-6
7971. 7773-03-7 0 1 0 Sulfurous acid, monopotassium salt KHSO3 XVIII.A-1, XX-6
7972. 11062-77-4 1 0 0 Superoxide (anion radical) XXVII-1
7973. 72506-68-4 0 1 0 Synthase, 1-aminocyclopropanecarboxylate XXII-2
7974. 37211-77-1 0 1 0 Synthase, 5-dehydroquinate XXII-2
7975. 9068-73-9 0 1 0 Synthase, 5-enolpyruvoylshikimate 3-phosphate XXII-2
7976. 144324-42-5 0 1 0 Synthase, 5-enolpyruvoylshikimate 3-phosphate (petunia clone pMON9531/pMON9556 reduced) 101-L-alanine-
XXII-2
7977. 144324-43-6 0 1 0 Synthase, 5-enolpyruvoylshikimate 3-phosphate (petunia clone pMON9531/pMON9556 reduced) 101-L-alanine-192-L-threonine-
XXII-2
7978. 9027-45-6 0 1 0 Synthase, acetolactate XXII-2
7979. 9037-14-3 0 1 0 Synthase, aminolevulinate XXII-2
7980. 9031-59-8 0 1 0 Synthase, anthranilate XXII-2
7981. 37290-89-4 0 1 0 Synthase, cysteine XXII-2
7982. 9055-59-8 0 1 0 Synthase, dihydrodipicolinate XXII-2
7983. 56803-04-4 0 1 0 Synthase, flavanone XXII-2
7984. 9013-48-3 0 1 0 Synthase, malate XXII-2
7985. 108281-08-9 0 1 0 Synthase, mannopine XXII-2
7986. 131754-88-6 0 1 0 Synthase, nicotine XXII-2
7987. 9036-37-7 0 1 0 Synthase, porphobilinogen XXII-2
7988. 9023-35-2 0 1 0 Synthase, pseudouridylate XXII-2
7989. 9077-14-9 0 1 0 Synthase, squalene XXII-2
7990. 9014-52-2 0 1 0 Synthase, tryptophan XXII-2
7991. 9031-56-5 0 1 0 Synthetase XXII-2
7992. 37205-63-3 0 1 0 Synthetase, adenosine triphosphate XXII-2
7993. 9028-02-8 0 1 0 Synthetase, aminoacyl-transfer ribonucleate XXII-2
7994. 0 1 0 Synthetase, aminolevulinate XXII-2
289
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
7995. 37205-35-9 0 1 0 Synthetase, arginyl-transfer ribonucleate XXII-2
7996. 37332-51-7 0 1 0 Synthetase, p-coumaroyl coenzyme A XXII-2
7997. 0 1 0 Synthetase, dehydroquinate XXII-2
7998. 9023-70-5 0 1 0 Synthetase, glutamine XXII-2
7999. 147626-93-5 0 1 0 Synthetase, glutamine (tobacco clone pcGS2-17 isoenzyme 2 subunit precursor reduced)
XXII-2
8000. 9068-76-2 0 1 0 Synthetase, glutamyl-transfer ribonucleate XXII-2
8001. 39341-90-7 0 1 0 Synthetase, indoleacetate XXII-2
8002. 9031-15-6 0 1 0 Synthetase, leucyl-transfer ribonucleate XXII-2
8003. 0 1 0 Synthetase, methenyl tetrahydrofolate XXII-2
8004. 9014-36-2 0 1 0 Synthetase, succinyl coenzyme A (guanosine diphosphate-forming)
XXII-2
8005. 9023-47-6 0 1 0 Synthetase, valyl-transfer ribonucleate XXII-2
8006. 71010-48-5 0 1 0 α-Tabacenic acid IV.A-3
8007. 71010-46-3 0 1 0 β-Tabacenic acid IV.A-3
8008. 71010-47-4 0 1 0 γ-Tabacenic acid IV.A-3
8009. 1401-55-4 0 1 0 Tannins {tannic acid} IV.A-3
8010. 7440-25-7 1 1 1 Tantalum Ta XX-5
8011. 13494-80-9 1 1 1 Tellurium Te XX-5
8012. 7440-27-9 0 1 0 Terbium Tb XX-5
8013. 1 0 0 Tergitol ether I d: R = CH3, x=1 X-2
8014. 1 0 0 Tergitol ether II d: R = CH3, x=2 X-2
8015. 1 0 0 Tergitol ether III d: R = CH3, x=3 X-2
8016. 1 0 0 Tergitol ether IV d: R = H, x=1
d The Tergitol ethers possessed the structures indicated:
X-2
CH3CHCH2CHCH2CHCH2CHCH3
O(CH2CH2O)xCH2R
CH3 CH3 CH3
8017. 92-06-8
26140-60-3
1 0 0 1,1’:3’,1”-Terphenyl {m-terphenyl}
I.B-1
8018. 2432-11-3 1 0 0 1,1’,3’-Terphenyl-2’-ol
OH
IX.A-22
8019. 92-94-4 1 0 0 1,1’:4’,1”-Terphenyl
I.B-1
8020. 1148-79-4 1 1 1 2,2':6',2''-Terpyridine
NN
N
XVII.B-6
290
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8021. 494-04-2 1 1 1 3,2':4',3''-Terpyridine {nicotelline}
N
N
N
XVII.B-6
8022. 100-97-0 1 0 0 1,3,5,7-Tetraazatricyclo[3.3.1.13,7
]decane {hexamethylenetetramine}
XII-2
8023. 4181-95-7 1 0 0 Tetracontane H3C-(CH2)38-CH3 I.A-10
8024. 1 0 0 1,6,10,14,18,23-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl- {isosqualene}
I.B-1
8025. 7683-64-9 1 1 1 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-
I.B-1
8026. 111-02-4 1 1 1 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)- {squalene}
I.B-1
8027. 0 1 0 2,6,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-pentamethyl-
I.B-1
8028. 646-31-1 1 1 1 Tetracosane H3C-(CH2)22-CH3 I.A-10
8029. 28503-88-0 1 1 1 Tetracosane, methyl- I.A-10
8030. 1560-78-7 1 0 0 Tetracosane, 2-methyl- I.A-10
8031. 1 1 1 Tetracosane, 3-methyl- I.A-10
8032. 557-59-5 1 1 1 Tetracosanoic acid {lignoceric acid} H3C-(CH2)22-COOH IV.A-3
8033. 42233-59-0 1 1 1 Tetracosanoic acid, docosyl ester H3C-(CH2)22-COO-(CH2)21-CH3 V-3
8034. 42233-49-8 1 1 1 Tetracosanoic acid, dodecyl ester H3C-(CH2)22-COO-(CH2)11-CH3 V-3
8035. 42233-57-8 1 1 1 Tetracosanoic acid, eicosyl ester H3C-(CH2)22-COO-(CH2)19-CH3 V-3
8036. 1 1 1 Tetraosanoic acid, ester with olean-12-en-3-ol, (3β)- {β-amyrenyl tetracosanoate)
V-3
8037. 42233-58-9 1 1 1 Tetracosanoic acid, heneicosyl ester H3C-(CH2)22-COO-(CH2)20-CH3 V-3
8038. 1 1 1 Tetracosanoic acid, heptacosyl ester H3C-(CH2)22-COO-(CH2)26-CH3 V-3
8039. 42233-54-5 1 1 1 Tetracosanoic acid, heptadecyl ester H3C-(CH2)22-COO-(CH2)16-CH3 V-3
8040. 121878-03-3 1 1 1 Tetracosanoic acid, hexacosyl ester H3C-(CH2)22-COO-(CH2)25-CH3 V-3
8041. 42233-53-4 1 1 1 Tetracosanoic acid, hexadecyl ester H3C-(CH2)22-COO-(CH2)15-CH3 V-3
8042. 42233-56-7 1 1 1 Tetracosanoic acid, nonadecyl ester H3C-(CH2)22-COO-(CH2)18-CH3 V-3
8043. 24897-95-8 1 1 1 Tetracosanoic acid, octacosyl ester H3C-(CH2)22-COO-(CH2)27-CH3 V-3
8044. 42233-55-6 1 1 1 Tetracosanoic acid, octadecyl ester H3C-(CH2)22-COO-(CH2)17-CH3 V-3
8045. 1 1 1 Tetracosanoic acid, pentacosyl ester H3C-(CH2)22-COO-(CH2)24-CH3 V-3
8046. 42233-52-3 1 1 1 Tetracosanoic acid, pentadecyl ester H3C-(CH2)22-COO-(CH2)14-CH3 V-3
8047. 1001-43-0 1 1 1 Tetracosanoic acid, tetracosyl ester H3C-(CH2)22-COO-(CH2)23-CH3 V-3
8048. 42233-51-2 1 1 1 Tetracosanoic acid, tetradecyl ester H3C-(CH2)22-COO-(CH2)13-CH3 V-3
8049. 42233-60-3 1 1 1 Tetracosanoic acid, tricosyl ester H3C-(CH2)22-COO-(CH2)22-CH3 V-3
8050. 42233-50-1 1 1 1 Tetracosanoic acid, tridecyl ester H3C-(CH2)22-COO-(CH2)12-CH3 V-3
291
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8051. 36378-43-5 0 1 0 Tetracosanoic acid, 22-methyl- IV.A-3
8052. 121877-84-7 1 1 1 Tetracosanoic acid, 22-methyl-, docosyl ester V-3
8053. 121877-77-8 1 1 1 Tetracosanoic acid, 22-methyl-, eicosyl ester V-3
8054. 0 1 0 Tetracosanoic acid, 23-methyl- IV.A-3
8055. 71608-05-4 1 0 0 Tetracosanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-
V-3
8056. 506-51-4 1 1 1 1-Tetracosanol H3C-(CH2)22-CH2OH II.A-5
8057. 63785-29-5 0 1 0 1-Tetracosanol, 22-methyl- II.A-5
8058. 0 1 0 1-Tetracosanol, 23-methyl- II.A-5
8059. 10192-32-2 1 0 0 1-Tetracosene H2C=CH-(CH2)21-CH3 I.B-1
8060. 1 0 0 1-Tetracosene, 2-methyl- H2C=C(CH3)-(CH2)21-CH3 I.B-1
8061. 1 0 0 2-Tetracosene, (Z)- H3C-CH=CH-(CH2)20-CH3 I.B-1
8062. 1 0 0 2-Tetracosene, (E)- I.B-1
8063. 1 0 0 2-Tetracosene, 2-methyl- H3C-C(CH3)=CH-(CH2)20-CH3 I.B-1
8064. 1 0 0 2-Tetracosene, 22-methyl-, (Z)- H3C-CH=CH-(CH2)18-CH(CH3)-CH2-CH3
I.B-1
8065. 1 0 0 2-Tetracosene, 22-methyl-, (E)- I.B-1
8066. 1 0 0 2-Tetracosene, 23-methyl-, (Z)- H3C-CH=CH-(CH2)19-CH(CH3)2 I.B-1
8067. 1 0 0 2-Tetracosene, 23-methyl-, (E)- I.B-1
8068. 14490-79-0 1 0 0 15-Tetracosenoic acid {nervonic acid} IV.A-3
8069. 506-37-6 1 0 0 15-Tetracosenoic acid, (Z)- IV.A-3
8070. 69521-46-6 0 1 0 Tetracosen-1-ol II.A-5
8071. 58879-40-6 0 1 0 1,13-Tetradecadien-3-one III-13
8072. 124-25-4 1 1 1 Tetradecanal {myristaldehyde} H3C-(CH2)12-CH=O III-12
8073. 629-59-4 1 1 1 Tetradecane H3C-(CH2)12-CH3 I.A-10
8074. 1560-96-9 0 1 0 Tetradecane, 2-methyl- H3C-(CH2)11-CH=(CH3)2 I.A-10
8075. 0 1 0 Tetradecane, 3-methyl- H3C-(CH2)10-CH(CH3)-CH2-CH3 I.A-10
8076. 14905-56-7 0 1 0 Tetradecane, 2,6,10-trimethyl- I.A-10
8077. 821-38-5 1 0 0 Tetradecanedioic acid HOOC-(CH2)12-COOH IV.A-3
8078. 544-63-8 1 1 1 Tetradecanoic acid {myristic acid} H3C-(CH2)12-COOH IV.A-3
8079. 42232-05-3 1 1 1 Tetradecanoic acid, docosyl ester H3C-(CH2)12-COO(CH2)21-CH3 V-3
8080. 2040-64-4 1 1 1 Tetradecanoic acid, dodecyl ester H3C-(CH2)12-COO-(CH2)11-CH3 V-3
8081. 22413-00-9 1 1 1 Tetradecanoic acid, eicosyl ester H3C-(CH2)12-COO-(CH2)19-CH3 V-3
8082. 124-06-1 0 1 0 Tetradecanoic acid, ethyl ester {ethyl myristate} H3C-(CH2)12-COO-C2H5 V-3
8083. 42218-21-3 1 1 1 Tetradecanoic acid, heneicosyl ester H3C-(CH2)12-COO-(CH2)20-CH3 V-3
8084. 1 1 1 Tetradecanoic acid, heptacosyl ester H3C-(CH2)12-COO-(CH2)26-CH3 V-3
8085. 18299-78-0 1 1 1 Tetradecanoic acid, heptadecyl ester H3C-(CH2)12-COO-(CH2)16-CH3 V-3
8086. 80252-34-2 1 1 1 Tetradecanoic acid, hexacosyl ester H3C-(CH2)12-COO-(CH2)25-CH3 V-3
8087. 2599-01-1 1 1 1 Tetradecanoic acid, hexadecyl ester H3C-(CH2)12-COO-(CH2)15-CH3 V-3
8088. 124-10-7 1 1 1 Tetradecanoic acid, methyl ester H3C-(CH2)12-COO-CH3 V-3
8089. 110-27-0 0 1 0 Tetradecanoic acid, 1-methylethyl ester H3C-(CH2)12-COO-CH=(CH3)2 V-3
8090. 36617-28-4 1 1 1 Tetradecanoic acid, nonadecyl ester H3C-(CH2)12-COO-(CH2)18-CH3 V-3
292
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8091. 3234-81-9 1 1 1 Tetradecanoic acid, octadecyl ester H3C-(CH2)12-COO-(CH2)17-CH3 V-3
8092. 121877-45-0 1 1 1 Tetradecanoic acid, pentacosyl ester H3C-(CH2)12-COO-(CH2)24-CH3 V-3
8093. 18299-74-6 1 1 1 Tetradecanoic acid, pentadecyl ester H3C-(CH2)12-COO-(CH2)14-CH3 V-3
8094. 18653-39-9 1 1 1 Tetradecanoic acid, tetracosyl ester H3C-(CH2)12-COO-(CH2)23-CH3 V-3
8095. 3234-85-3 1 1 1 Tetradecanoic acid, tetradecyl ester H3C-(CH2)12-COO-(CH2)13-CH3 V-3
8096. 42232-06-4 1 1 1 Tetradecanoic acid, tricosyl ester H3C-(CH2)12-COO-(CH2)22-CH3 V-3
8097. 36617-27-3 1 1 1 Tetradecanoic acid, tridecyl ester H3C-(CH2)12-COO-(CH2)12-CH3 V-3
8098. 1961-72-4 1 1 1 Tetradecanoic acid, 3-hydroxy- H3C-(CH2)10-CHOH-CH2-COOH IV.A-3
8099. 5502-94-3
5746-58-7
1 1 1 Tetradecanoic acid, 12-methyl- H3C-CH2-CH(CH3)-(CH2)10-COOH IV.A-3
8100. 121877-30-3 1 1 1 Tetradecanoic acid, 12-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)21-CH3
V-3
8101. 121877-23-4 1 1 1 Tetradecanoic acid, 12-methyl-, eicosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)19-CH3
V-3
8102. 121877-28-9 1 1 1 Tetradecanoic acid, 12-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)20-CH3
V-3
8103. 121877-56-3 1 1 1 Tetradecanoic acid, 12-methyl-, hexacosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)25-CH3
V-3
8104. 121877-08-5 1 1 1 Tetradecanoic acid, 12-methyl-, hexadecyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)15-CH3
V-3
8105. 121877-17-6 1 1 1 Tetradecanoic acid, 12-methyl-, octadecyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)17-CH3
V-3
8106. 121877-48-3 1 1 1 Tetradecanoic acid, 12-methyl-, pentacosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)24-CH3
V-3
8107. 121877-40-5 1 1 1 Tetradecanoic acid, 12-methyl-, tetracosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)23-CH3
V-3
8108. 121877-34-7 1 1 1 Tetradecanoic acid, 12-methyl-, tricosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)22-CH3
V-3
8109. 2485-71-4 0 1 0 Tetradecanoic acid, 13-methyl- (H3C)2=CH-(CH2)11-COOH IV.A-3
8110. 121877-29-0 1 1 1 Tetradecanoic acid, 13-methyl-, docosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)21-CH3
V-3
8111. 121877-21-2 1 1 1 Tetradecanoic acid, 13-methyl-, eicosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)19-CH3
V-3
8112. 121877-26-7 1 1 1 Tetradecanoic acid, 13-methyl-, heneicosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)20-CH3
V-3
8113. 121877-49-4 1 1 1 Tetradecanoic acid, 13-methyl-, hexacosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)25-CH3
V-3
8114. 71801-84-8 1 1 1 Tetradecanoic acid, 13-methyl-, hexadecyl ester (H3C)2=CH-(CH2)11-COO-(CH2)15-CH3
V-3
8115. 121877-12-1 1 1 1 Tetradecanoic acid, 13-methyl-, octadecyl ester (H3C)2=CH-(CH2)11-COO-(CH2)17-CH3
V-3
8116. 121877-35-8 1 1 1 Tetradecanoic acid, 13-methyl-, tetracosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)23-CH3
V-3
8117. 121877-32-5 1 1 1 Tetradecanoic acid, 13-methyl-, tricosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)22-CH3
V-3
293
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8118. 71607-88-0 1 1 1 Tetradecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34- hexatriacontanonaenyl ester
V-3
8119. 62172-52-5 1 0 0 Tetradecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-
V-3
8120. 112-72-1 1 1 1 1-Tetradecanol H3C-(CH2)12-CH2OH II.A-5
8121. 50313-71-8 0 1 0 1-Tetradecanol, 12-methyl- II.A-5
8122. 15371-32-1 0 1 0 2,6,11,13-Tetradecatetraenal, 3,7,13-trimethyl-10-(1-methylethyl)-, [S- (E,E,E)]-
III-12 H3C CH3
CH2
CH3CH=O
CH3
H3C
23
4
5
5
78
9
10
11
12
13
8123. 125572-76-1 1 1 1 2,6,11,13-Tetradecatetraenal, 3,7,13-trimethyl-10-(1-methylethyl)-
III-12
8124. 150405-77-9 0 1 0 2,6,11,13-Tetradecatetraen-1-ol, 3,7,13-trimethyl-10-(1-methylethyl)-
II.A-5
8125. 30790-23-9 0 1 0 Tetradecatrienoic acid IV.A-3
8126. 1120-36-1 1 1 1 1-Tetradecene H2C=CH-(CH2)11-CH3 I.B-1
8127. 1 0 0 1-Tetradecene, 2-methyl- H2C=C(CH3)-(CH2)11-CH3 I.B-1
8128. 1652-97-7 1 0 0 2-Tetradecene, (Z)- H3C-CH=CH-(CH2)10-CH3 I.B-1
8129. 1 0 0 2-Tetradecene, (E)- I.B-1
8130. 1 0 0 2-Tetradecene, 2-methyl- H3C-C(CH3)=CH-(CH2)10-CH3 I.B-1
8131. 1 0 0 2-Tetradecene, 12-methyl-,(Z)- H3C-CH=CH-(CH2)8-CH(CH3)-CH2-CH3
I.B-1
8132. 1 0 0 2-Tetradecene, 12-methyl-, (E)- I.B-1
8133. 1 0 0 2-Tetradecene, 13-methyl-, (Z)- H3C-CH=CH-(CH2)9-CH(CH3)2 I.B-1
8134. 1 0 0 2-Tetradecene, 13-methyl-, (E)- I.B-1
8135. 26444-03-1 1 1 1 Tetradecenoic acid IV.A-3
8136. 56219-06-8 0 1 0 9-Tetradecenoic acid, methyl ester, (Z)- V-3
8137. 14167-59-0 1 1 1 Tetratriacontane H3C-(CH2)32-CH3 I.A-10
8138. 14167-65-8 0 1 0 Tetratriacontane, 2-methyl- H3C-CH(CH3)-(CH2)31-CH3 I.A-10
8139. 66309-88-4 1 1 1 Tetratriacontane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)30-CH3 I.A-10
8140. 1 0 0 Tetratriacontanoic acid H3C-(CH2)32-COOH IV.A-3
8141. 7440-28-0 1 1 1 Thallium Tl XX-5
8142. 420-12-2 0 1 0 Thiacyclopropane {ethylene sulfide} S
XVIII.A-1
8143. 533-74-4 0 1 0 1,3,5-Thiadiazine, 2-thio-3,5-dimethyl-tetrahydro- {Dazomet®; Mylone®}
XVIII.A-1, XXI-3
N
N
S
S
8144. 288-47-1 1 1 1 Thiazole
N S1
2
3
4 5
XVIII.A-1
8145. 1 0 0 Thiazole, methyl-5-propyl- XVIII.A-1
294
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8146. 37645-61-7 1 0 0 Thiazole, 2-butyl- XVIII.A-1
8147. 15679-09-1 1 0 0 Thiazole, 2-ethyl- XVIII.A-1
8148. 19961-53-6 1 0 0 Thiazole, 2-ethyl-5-methyl- XVIII.A-1
8149. 3581-87-1 1 0 0 Thiazole, 2-methyl- XVIII.A-1
8150. 1 0 0 Thiazole, 2-(3-methylbutyl)- XVIII.A-1
8151. 1 0 0 Thiazole, 2-(1-methylethyl)- XVIII.A-1
8152. 1 0 0 Thiazole, 2-(1-methylpropyl)- XVIII.A-1
8153. 18640-74-9 1 0 0 Thiazole, 2-(2-methylpropyl)- XVIII.A-1
8154. 32272-49-4 1 0 0 Thiazole, 2,4-diethyl- XVIII.A-1
8155. 541-58-2 1 0 0 Thiazole, 2,4-dimethyl- XVIII.A-1
8156. 13623-11-5 1 0 0 Thiazole, 2,4,5-trimethyl- XVIII.A-1
8157. 1 0 0 Thiazole, 2,5-diethyl-4-methyl- XVIII.A-1
8158. 4175-66-0 1 0 0 Thiazole, 2,5-dimethyl- XVIII.A-1
8159. 32272-48-3 1 0 0 Thiazole, 4-ethyl-2-methyl- XVIII.A-1
8160. 52414-91-2 1 0 0 Thiazole, 4-ethyl-5-methyl- XVIII.A-1
8161. 693-95-8 1 0 0 Thiazole, 4-methyl- XVIII.A-1
8162. 137-00-8 0 1 0 Thiazole, 4-methyl-5-(2'-hydroxyethyl)- H3C CH2-CH2-OH
N S
XVIII.A-1
8163. 1 0 0 Thiazole, 4-(2-methylpropyl)- XVIII.A-1
8164. 41981-60-6 1 0 0 Thiazole, 4-propyl- XVIII.A-1
8165. 3581-91-7 1 0 0 Thiazole, 4,5-dimethyl- XVIII.A-1
8166. 17626-73-2 1 0 0 Thiazole, 5-ethyl- XVIII.A-1
8167. 38205-61-7 1 0 0 Thiazole, 5-ethyl-2,4-dimethyl- XVIII.A-1
8168. 19961-52-5 1 0 0 Thiazole, 5-ethyl-2-methyl- XVIII.A-1
8169. 31883-01-9 1 0 0 Thiazole, 5-ethyl-4-methyl- XVIII.A-1
8170. 3581-89-3 1 0 0 Thiazole, 5-methyl- XVIII.A-1
8171. 88381-44-6 0 1 0 4-Thiazolidinecarboxylic acid, 3-nitroso- {N-nitrosothioproline}
IV.A-3, XV-9, XVIII.A-1 NO
N
S
HOOC
8172. 154-87-0 0 1 0 Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide
XII-2, XVII.B-2, XVIII.A-1, XVIII.B-3
8173. 59-43-8 0 1 0 Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl- chloride {thiamine}
II.A-5, XII-2, XVII.B-2, XVIII.A-1, XVIII.B-3
N NH2H3CS
CH3
OH
N+
Cl-
N
295
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8174. 67-03-8 0 1 0 Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl- chloride, monohydrochloride
{thiamine hydrochloride}
II.A-5, XII-2, XVII.B-2, XVIII.A-1, XVIII.B-3
N NH2H3CS
CH3
OH
N+
Cl-
N
.HCl
8175. 58-85-5 0 1 0 1H-Thieno[3,4-d]imidazole-4-pentanoic acid,
hexahydro-2-oxo-, [3aS-(3aα,4β,6aα)]-
IV.A-3, XVII.E-8, XVIII.A-1
8176. 36267-71-7 0 1 0 Thieno(3,4-d)pyrimidine, 5,7-dihydro-2-methyl-
H3C
N
N
S
XVIII.A-1
8177. 302-04-5 1 0 0 Thiocyanate XVIII.A-1
8178. 463-56-9 1 0 0 Thiocyanic acid HSCN XVIII.A-1
8179. 556-64-9 1 0 0 Thiocyanic acid, methyl ester H3C-SCN XVIII.A-1
8180. 505-14-6 1 0 0 Thiocyanogen (SCN)2 XVIII.A-1
8181. 137-26-8 0 1 0 Thioformamide, 1,1'-dithiobis(N,N-dimethyl {Thiram®}
XVIII.A-1, XXI-3
8182. 22223-61-6 1 0 0 Thionitrous acid (HNOS), S-methyl ester XVIII.A-1
8183. 110-02-1 1 1 1 Thiophene
S2
34
5
XVIII.A-1
8184. 638-00-6 1 0 0 Thiophene, 2,4-dimethyl- XVIII.A-1
8185. 25154-40-9 1 1 1 Thiophene, methyl- XVIII.A-1
8186. 554-14-3 1 0 0 Thiophene, 2-methyl- XVIII.A-1
8187. 126-33-0 1 0 0 Thiophene, tetrahydro-, 1,1-dioxide {Sulfolan®}
SO O
XVIII.A-1, XXI-3
8188. 98-03-3 1 1 1 2-Thiophenecarboxaldehyde XVIII.A-1
8189. 5834-16-2 1 1 1 2-Thiophenecarboxaldehyde, 3-methyl-
SCH=O
CH3
XVIII.A-1
8190. 13679-70-4 1 1 1 2-Thiophenecarboxaldehyde, 5-methyl-
SCH=OH3C
XVIII.A-1
8191. 149956-84-3 0 1 0 Thioredoxin h2 (tobacco) XXII-2
8192. 7440-29-1 1 1 1 Thorium Th XX-5
8193. 14274-82-9 1 1 1 Thorium, isotope of mass 228 228
Th XX-5
8194. 72-19-5 1 1 1 L-Threonine H3C-CHOH-CH(NH2)-COOH
II.A5, IV.A-3, IV.B-7, XII-2
8195. 32190-57-1 0 1 0 L-Threonine, N-[2-amino-4-(3-hydroxy-2-oxo-3-azetidinyl)-1-oxobutyl]-
II.A5, IV.A-3, IV.B-7, XVII.A-1
8196. 0 1 0 L-Threonine, N-(1-deoxy-D-fructos-1-yl)- II.A5, IV.A-3, IV.B-7, X-2
8197. 7440-30-4 1 1 1 Thulium Tm XX-5
296
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8198. 50-89-5 0 1 0 Thymidine II.A-5, X-2
O N
HN
O
CH3
O
OHHOCH2
8199. 7440-31-5 1 1 1 Tin Sn XX-5
8200. 7440-32-6 1 1 1 Titanium Ti XX-5
8201. 0 1 0 Transaminase XXII-2
8202. 50812-37-8 0 1 0 Transferase, glutathione S- XXII-2
8203. 9014-48-6 0 1 0 Transketolase XXII-2
8204. 0 1 0 Transmethylase XXII-2
8205. 97-20-7 0 1 0 Trehalose II.A-5, VIII-3
8206. 101-05-3 0 1 0 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)- {Anilazine®; Dyrene®}
XVII.B-2, XVIII.B-3, XXI-3
8207. 21087-64-9 0 1 0 1,2,4-Triazin-5(4H)-one, 4-amino-6-tert-butyl-3-(methylthio)- {Metribuzin®}
XVII.B-2, XII-2, XVIII.A-1, XXI-3
SO
N
N
N
NH2
(CH3)3C
CH3
8208. 66246-88-6 0 1 0 1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)pentyl)- {Penconazole®}
XVII.A-4, XVIII.B-3, XXI-3
NN
N
Cl Cl
(CH2)2-CH3
8209. 55219-65-3 0 1 0 1H-1,2,4-Triazol-1-ethanol, 8-(4-chlorophenoxy)-α-(1,1-dimethylethyl}- {Triadimenol®}
X-2, XVII.A-4, XVIII.B-3, XXI-3
NN
N
Cl
O
CHOH-C(CH3)3
8210. 122836-35-5 0 1 0 1H-1,2,4-Triazol-1-yl)phenyl)methane-sulfonamide, N-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo- {Sulfentrazone®}
XVII.A-4, XVIII.A-1, XVIII.B-3, XXI-3
N
N
N
CHF2
O
Cl
SO2
Cl
H3C
CH3
8211. 27096-03-3 1 0 0 5H-Tribenzo[a,f,l]trindene, 10,15-dihydro-
{5H-diindeno[1,2-a:1’,2’-c]fluorene; truxene}
I.B-6
8212. 638-68-6 1 1 1 Triacontane H3C-(CH2)28-CH3 I.A-10
8213. 1560-72-1 1 1 1 Triacontane, 2-methyl- H3C-CH(CH3)-(CH2)27-CH3 I.A-10
8214. 1 1 1 Triacontane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)26-CH3 I.A-10
297
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8215. 506-50-3 1 0 0 Triacontanoic acid H3C-(CH2)28-COOH IV.A-3
8216. 121878-07-7 1 1 1 Triacontanoic acid, docosyl ester H3C-(CH2)28-COO-(CH2)21-CH3 V -3
8217. 1 1 1 Triacontanoic acid, ester with olean-12-en-3-ol,
(3β)- {β-amyrenyl triacontanoate}
V-3
8218. 104932-26-5 1 1 1 Triacontanoic acid, eicosyl ester H3C-(CH2)28-COO-(CH2)19-CH3 V-3
8219. 1 1 1 1-Triacontanol H3C-(CH2)28-CH2OH II.A-5
8220. 18435-53-5 1 0 0 1-Triacontene H2C=CH-(CH2)27-CH3 I.B-1
8221. 1 0 0 1-Triacontene, 2-methyl- H2C=C(CH3)-(CH2)27-CH3 I.B-1
8222. 1 0 0 2-Triacontene, (Z)- H3C-CH=CH-(CH2)26-CH3 I.B-1
8223. 1 0 0 2-Triacontene, (E)- I.B-1
8224. 1 0 0 2-Triacontene, 2-methyl- H3C-C(CH3)=CH-(CH2)26-CH3 I.B-1
8225. 1 0 0 2-Triacontene, 28-methyl-, (Z)- H3C-CH=CH-(CH2)24-CH(CH3)-CH2-CH3
I.B-1
8226. 1 0 0 2-Triacontene, 28-methyl-, (E)- I.B-1
8227. 1 0 0 2-Triacontene, 29-methyl-, (Z)- H3C-CH=CH-(CH2)25-CH(CH3)2 I.B-1
8228. 1 0 0 2-Triacontene, 29-methyl-, (E)- I.B-1
8229. 638-67-5 1 1 1 Tricosane H3C-(CH2)21-CH3 I.A-10
8230. 1928-30-9 1 1 1 Tricosane, 2-methyl- H3C-CH(CH3)-(CH2)20-CH3 I.A-10
8231. 13410-45-2 0 1 0 Tricosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)19-CH3 I.A-10
8232. 2433-96-7 1 1 1 Tricosanoic acid H3C-(CH2)21-COOH IV.A-3
8233. 42233-37-4 1 1 1 Tricosanoic acid, docosyl ester H3C-(CH2)21-COO-(CH2)21-CH3 V-3
8234. 42233-27-2 1 1 1 Tricosanoic acid, dodecyl ester H3C-(CH2)21-COO-(CH2)11-CH3 V-3
8235. 42233-35-2 1 1 1 Tricosanoic acid, eicosyl ester H3C-(CH2)21-COO-(CH2)19-CH3 V-3
8236. 42233-36-3 1 1 1 Tricosanoic acid, heneicosyl ester H3C-(CH2)21-COO-(CH2)20-CH3 V-3
8237. 1 1 1 Tricosanoic acid, heptacosyl ester H3C-(CH2)21-COO-(CH2)26-CH3 V-3
8238. 42233-32-9 1 1 1 Tricosanoic acid, heptadecyl ester H3C-(CH2)21-COO-(CH2)16-CH3 V-3
8239. 121877-98-3 1 1 1 Tricosanoic acid, hexacosyl ester H3C-(CH2)21-COO-(CH2)25-CH3 V-3
8240. 42233-31-8 1 1 1 Tricosanoic acid, hexadecyl ester H3C-(CH2)21-COO-(CH2)15-CH3 V-3
8241. 2433-97-8 0 1 0 Tricosanoic acid, methyl ester H3C-(CH2)21-COO-CH3 V-3
8242. 42233-34-1 1 1 1 Tricosanoic acid, nonadecyl ester H3C-(CH2)21-COO-(CH2)18-CH3 V-3
8243. 42233-33-0 1 1 1 Tricosanoic acid, octadecyl ester H3C-(CH2)21-COO-(CH2)17-CH3 V-3
8244. 1 1 1 Tricosanoic acid, pentacosyl ester H3C-(CH2)21-COO-(CH2)24-CH3 V-3
8245. 42233-30-7 1 1 1 Tricosanoic acid, pentadecyl ester H3C-(CH2)21-COO-(CH2)14-CH3 V-3
8246. 42233-39-6 1 1 1 Tricosanoic acid, tetracosyl ester H3C-(CH2)21-COO-(CH2)23-CH3 V-3
8247. 42233-29-4 1 1 1 Tricosanoic acid, tetradecyl ester H3C-(CH2)21-COO-(CH2)13-CH3 V-3
8248. 42233-38-5 1 1 1 Tricosanoic acid, tricosyl ester H3C-(CH2)21-COO-(CH2)22-CH3 V-3
8249. 42233-28-3 1 1 1 Tricosanoic acid, tridecyl ester H3C-(CH2)21-COO-(CH2)12-CH3 V-3
8250. 36332-96-4 1 1 1 Tricosanoic acid, 21-methyl- H3C-CH2-CH(CH3)-(CH2)19-COOH IV.A-3
8251. 121877-82-5 1 1 1 Tricosanoic acid, 21-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)19-COO-(CH2)21-CH3
V-3
8252. 121877-72-3 1 1 1 Tricosanoic acid, 21-methyl-, eicosyl ester H3C-CH2-CH(CH3)-(CH2)19-COO-(CH2)19-CH3
V-3
298
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8253. 121877-73-4 1 1 1 Tricosanoic acid, 21-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)19-COO-(CH2)20-CH3
V-3
8254. 121877-63-2 1 1 1 Tricosanoic acid, 21-methyl-, nonadecyl ester H3C-CH2-CH(CH3)-(CH2)19-COO-(CH2)18-CH3
V-3
8255. 4730-63-6 1 1 1 Tricosanoic acid, 22-methyl- (H3C)2=CH-(CH2)20-COOH IV.A-3
8256. 71608-06-5 1 0 0 Tricosanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-
V-3
8257. 3133-01-5 1 1 1 1-Tricosanol H3C-(CH2)21-CH2OH II.A-5
8258. 63907-54-0 0 1 0 1-Tricosanol, 22-methyl- (H3C)2=CH-(CH2)20-CH2OH II.A-5
8259. 540-09-0 1 1 1 12-Tricosanone [H3C-(CH2)10]2=C=O III-13
8260. 66309-85-1 1 1 1 5,9,13,17,21-Tricosapentaen-2-one, 6,10,14,18,22-pentamethyl-
III-13
8261. 18835-32-0 1 1 1 1-Tricosene H3C-(CH2)20-CH=CH2 I.B-1
8262. 1 0 0 1-Tricosene, 2-methyl- H2C=C(CH3)-(CH2)20-CH3 I.B-1
8263. 1 0 0 2-Tricosene, (Z)- H3C-CH=CH-(CH2)19-CH3 I.B-1
8264. 1 0 0 2-Tricosene, (E)- I.B-1
8265. 1 0 0 2-Tricosene, 2-methyl- H3C-C(CH3)=CH-(CH2)19-CH3 I.B-1
8266. 1 0 0 2-Tricosene, 21-methyl-, (Z)- H3C-CH=CH-(CH2)17-CH(CH3)-CH2-CH3
I.B-1
8267. 1 0 0 2-Tricosene, 21-methyl-, (E)- I.B-1
8268. 1 0 0 2-Tricosene, 22-methyl-, (Z)- H3C-CH=CH-(CH2)18-CH(CH3)2 I.B-1
8269. 1 0 0 2-Tricosene, 22-methyl-, (E)- I.B-1
8270. 27519-02-4 0 1 0 9-Tricosene I.B-1
8271. 30326-99-9 1 0 0 Tricosenoic acid IV.A-3
8272. 279-19-6 1 0 0 Tricyclo[2.2.1.02,6]heptane
CH2
CH
CHCH2
H2C
CHHC
I.C-1
8273. 707-35-7 0 1 0 Tricyclo[3.3.1.1]decane, 1,3,5-trimethyl-
(CH3)3
1.C-1
8274. 472-97-9 0 1 0 Tricyclo[6.3.1.02,5]dodecan-1-ol, 4,4,8-trimethyl-,
[1R-(1α,2α,5β,8β)]-
II.A-5
8275. 195-84-6 1 0 0 Tricycloquinazoline XVII.E-6
8276. 28522-57-8 1 0 0 Tricycloquinazoline, 3-methyl- XVII.E-6
8277. 129777-24-8 0 1 0 3,7-Tridecadiene-2,12-dione, 6-hydroxy-6-methyl-9-(1-methylethyl)-
II.A-5, III-13
8278. 60593-18-2 0 1 0 3,8-Tridecadiene-2,12-dione, 8-methyl-5-(1-methylethyl)-, [S-(E,E)]-
III-13
8279. 10486-19-8 0 1 0 Tridecanal H3C-(CH2)11-CH=O III-12
8280. 629-50-5 1 1 1 Tridecane H3C-(CH2)11-CH3 I.A-10
8281. 1590-96-9 0 1 0 Tridecane, 2-methyl- H3C-(CH2)10-CH=(CH3)2 I.A-10
8282. 0 1 0 Tridecane, 3-methyl- H3C-(CH2)9-CH(CH3)-CH2-CH3 I.A-10
8283. 19780-80-4 0 1 0 Tridecane, 7-methylene- [H3C-(CH2)5]2=C=CH2 I.B-1
8284. 505-52-2 1 0 0 Tridecanedioic acid HOOC-(CH2)11-COOH IV.A-3
299
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8285. 638-53-9 1 1 1 Tridecanoic acid H3C-(CH2)11-COOH IV.A-3
8286. 36617-26-2 1 1 1 Tridecanoic acid, eicosyl ester H3C-(CH2)11-COO-(CH2)19-CH3 V-3
8287. 1731-88-0 0 1 0 Tridecanoic acid, methyl ester H3C-(CH2)11-COO-CH3 V-3
8288. 121877-24-5 1 1 1 Tridecanoic acid, 11-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)9-COO-(CH2)20-CH3
V-3
8289. 121877-57-4 1 1 1 Tridecanoic acid, 11-methyl-, heptacosyl ester H3C-CH2-CH(CH3)-(CH2)9-COO-(CH2)26-CH3
V-3
8290. 121877-07-4 1 1 1 Tridecanoic acid, 11-methyl-, heptadecyl ester H3C-CH2-CH(CH3)-(CH2)9-COO-(CH2)16-CH3
V-3
8291. 121877-16-5 1 1 1 Tridecanoic acid, 11-methyl-, nonadecyl ester H3C-CH2-CH(CH3)-(CH2)9-COO-(CH2)18-CH3
V-3
8292. 2724-57-4 1 1 1 Tridecanoic acid, 12-methyl- (H3C)2=CH-(CH2)10-COOH IV.A-3
8293. 121877-25-6 1 1 1 Tridecanoic acid, 12-methyl-, docosyl ester (H3C)2=CH-(CH2)10-COO-(CH2)21-CH3 V-3
8294. 121877-19-8 1 1 1 Tridecanoic acid, 12-methyl-, eicosyl ester (H3C)2=CH-(CH2)10-COO-(CH2)19-CH3 V-3
8295. 121877-22-3 1 1 1 Tridecanoic acid, 12-methyl-, heneicosyl ester (H3C)2=CH-(CH2)10-COO-(CH2)20-CH3 V-3
8296. 121877-14-3 1 1 1 Tridecanoic acid, 12-methyl-, heptadecyl ester (H3C)2=CH-(CH2)10-COO-(CH2)16-CH3 V-3
8297. 5129-58-8 0 1 0 Tridecanoic acid, 12-methyl-, methyl ester (H3C)2=CH-(CH2)10-COO-CH3 V-3
8298. 121877-11-0 1 1 1 Tridecanoic acid, 12-methyl-, nonadecyl ester (H3C)2=CH-(CH2)10-COO-(CH2)18-CH3 V-3
8299. 121877-09-6 1 1 1 Tridecanoic acid, 12-methyl-, octadecyl ester (H3C)2=CH-(CH2)10-COO-(CH2)17-CH3 V-3
8300. 71608-07-6 1 0 0 Tridecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-
V-3
8301. 112-70-9 1 1 1 1-Tridecanol H3C-(CH2)11-CH2OH II.A-5
8302. 0 1 0 1-Tridecanol, 12-methyl- (H3C)2=CH-(CH2)10-CH2OH II.A-5
8303. 593-08-8 0 1 0 2-Tridecanone H3C-(CH2)10-CO-CH3 III-13
8304. 117210-51-2 0 1 0 2-Tridecanone, 4,8,12-trimethyl- III-13
8305. 41678-34-6 0 1 0 Tridecatrienoic acid IV.A-3
8306. 59573-83-0 0 1 0 5,10,12-Tridecatrien-2-one, 6,12-dimethyl-9-(1-methylethyl)-, [S-(E,E)]-
III-13
8307. 7774-82-5 0 1 0 2-Tridecenal H3C-(CH2)9-CH=CH-CH=O III-12
8308. 25377-82-6 1 1 1 Tridecene H-(CH2)n-CH=CH-(CH2)(11-n)-H IB-1
8309. 2437-56-1 1 0 0 1-Tridecene H3C-(CH2)10-CH=CH2 IB-1
8310. 1 0 0 1-Tridecene, 2-methyl- H2C=C(CH3)-(CH2)10-CH3 IB-1
8311. 19150-20-0 1 0 0 2-Tridecene, (Z)- H3C-CH=CH-(CH2)9-CH3 IB-1
8312. 1 0 0 2-Tridecene, (E)- IB-1
8313. 1 0 0 2-Tridecene, 2-methyl- H3C-C(CH3)=CH-(CH2)9- CH3 IB-1
8314. 1 0 0 2-Tridecene, 11-methyl-, (Z)- H3C-CH=CH-(CH2)7-CH(CH3)-CH2-CH3
IB-1
8315. 1 0 0 2-Tridecene, 11-methyl-, (E)- IB-1
8316. 1 0 0 2-Tridecene, 12-methyl-, (Z)- H3C-CH=CH-(CH2)8-CH(CH3)2 IB-1
8317. 1 0 0 2-Tridecene, 12-methyl-, (E)- IB-1
8318. 60026-14-4 0 1 0 3-Tridecene-2,8-diol, 4,8,12-trimethyl- II.A-5
8319. 1 0 0 Tridecenoic acid IV.A-3
300
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8320. 123-63-7 1 0 0 1,3,5-Trioxane, 2,4,6-trimethyl-
{paraldehyde; acetaldehyde trimer}
O
O O
CH3
CH3
H3C1
2
34
5
6
X-2
8321. 81901-03-3 0 1 0 3,5,9-Trioxa-4-phosphaheptacosadien-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecadienyl)oxy]-, hydroxide, inner salt, 4-oxide
XII-2
8322. 70106-56-8 0 1 0 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1- oxooctadecatrienyl)oxy]-, hydroxide, inner salt, 4-oxide, hexadehydro derivative, (R)-
XII-2
8323. 217-59-4 1 0 0 Triphenylene {9,10-benzophenanthrene}
I.E-6
8324. 60826-76-8 1 0 0 Triphenylene, dimethyl- I.E-6
8325. 41637-89-2 1 0 0 Triphenylene, methyl- I.E-6
8326. 60826-79-1 1 0 0 Triphenylene, trimethyl- I.E-6
8327. 76-87-9 0 1 0 Triphenylstannium hydroxide {Fentin hydroxide®} (C6H5)3≡Sn-OH XX-6, XXI-3
8328. 3658-80-8 1 0 0 Trisulfide, dimethyl- XVIII.A-1
8329. 630-05-7 1 1 1 Tritriacontane H3C-(CH2)31-CH3 I.A-10
8330. 66214-27-5 1 1 1 Tritriacontane, 2-methyl- (H3C)2=CH-(CH2)30-CH3 I.A-10
8331. 14167-69-2 1 1 1 Tritriacontane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)29-CH3 I.A-10
8332. 1 0 0 Tritriacontanoic acid H3C-(CH2)31-COOH IV.A-3
8333. 9035-81-8 0 1 0 Trypsin inhibitor XXII-2
8334. 150498-11-6 0 1 0 Trypsin inhibitor, TTI (tobacco isoform 1 reduced) XXII-2
8335. 6912-86-3 0 1 0 Tryptophan IV.A-3, IV.B-7
8336. 73-22-3 0 1 0 L-Tryptophan IV.A-3, IV.B-7
NH2
COOH
NH
8337. 60738-11-6 0 1 0 L-Tryptophan, labeled with 14
C IV.A-3, IV.B-7
8338. 7440-33-7 1 1 1 Tungsten W XX-5
8339. 0 1 0 Tyrase XXII-2
8340. 55520-40-6 0 1 0 Tyrosine IV.A-3, IV.B-7
8341. 587-45-1 0 1 0 Tyrosine, 3-hydroxy- IV.A-3, IV.B-7
8342. 60-18-4 0 1 0 L-Tyrosine IV.A-3, IV.B-7
HO
CH2-CH(NH2)-COOH
8343. 34393-22-1 0 1 0 L-Tyrosine, N-(1-deoxy-D-fructos-1-yl)- IV.A-3, IV.B-7
8344. 120904-94-1 0 1 0 Ubiquitin, poly- XXII-2
8345. 129970-88-3 0 1 0 5,9-Undecadienal, 6,10-dimethyl-2-methylene- III-12
8346. 55976-13-1 0 1 0 1,4-Undecadiene, (E)- H3C-(CH2)5-CH=CH-CH2-CH=CH2 I.B-1
301
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8347. 53837-34-6 1 0 0 5,9-Undecadien-2-ol, 6,10-dimethyl- II.A-5
8348. 0 1 0 5,8-Undecadien-2-one, 6,10-dimethyl- III-13
8349. 65017-84-7 0 1 0 5,8-Undecadien-2-one, 6,10-dimethyl-10-hydroxy- (E,E)-
II.A-5, III-13
8350. 689-67-8 0 1 0 5,9-Undecadien-2-one, 6,10-dimethyl- III-13
8351. 3796-70-1 1 1 1 5,9-Undecadien-2-one, 6,10-dimethyl-, (E)- {geranylacetone}
H(CH2-C(CH3)=CH-CH2)2-CH2-CO-CH3
III-13
8352. 3879-26-3 1 1 1 5,9-Undecadien-2-one, 6,10-dimethyl-, (Z)- {nerylacetone}
III-13
8353. 152209-56-8 0 1 0 6,10-Undecadien-2-one, 8-hydroxy-8-methyl-5-(1-methylethyl)-11-(tetrahydro-2-methyl-2-furanyl)-
II.A-5, III-13, X-2
8354. 51297-36-0 0 1 0 8,10-Undecadien-4-one, 2,10-dimethyl-7-(1-methylethyl)-, (E)-(±)-
III-13
8355. 112-44-7 0 1 0 Undecanal H3C-(CH2)9-CH=O III-12
8356. 1120-21-4 1 1 1 Undecane H3C-(CH2)9-CH3 I.A-10
8357. 1 0 0 Undecane, dimethyl- I.A-10
8358. 17301-23-4 0 1 0 Undecane, 2,6-dimethyl- I.A-10
8359. 7045-71-8 1 1 1 Undecane, 2-methyl- (H3C)2=CH-(CH2)8-CH3 I.A-10
8360. 1002-43-3 1 1 1 Undecane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)7-CH3 I.A-10
8361. 1852-04-6 1 1 1 Undecanedioic acid HOOC-(CH2)9-COOH IV.A-3
8362. 112-37-8 1 1 1 Undecanoic acid
H3C-(CH2)9-COOH
IV.A-3
8363. 71608-08-7 1 0 0 Undecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-
V-3
8364. 1731-86-8 0 1 0 Undecanoic acid, methyl ester H3C-(CH2)9-COOCH3 V-3
8365. 112-42-5 1 1 1 1-Undecanol H3C-(CH2)9-CH2OH II.A-5
8366. 1731-81-3 0 1 0 1-Undecanol, acetate H3C-(CH2)9-CH2-OOC-CH3 V-3
8367. 38713-13-2 0 1 0 2-Undecanol, 6,10-dimethyl- H-[CH2-CH(CH3)-(CH2)2]2-CH2-CHOH-CH3
II.A-5
8368. 112-12-9 1 1 1 2-Undecanone {methyl nonyl ketone} H3C-(CH2)8-CO-CH3 III-13
8369. 1604-34-8 1 1 1 2-Undecanone, 6,10-dimethyl-
{tetrahydrogeranylacetone}
III-13
8370. 0 1 0 6-Undecanone H3C-(CH2)4-CO-(CH2)4-CH3 III-13
8371. 141-10-6 1 1 1 3,5,9-Undecatrien-2-one, 6,10-dimethyl- {pseudoionone}
III-13
8372. 3548-78-5 0 1 0 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)- {pseudoionone}
III-13
8373. 13927-47-4 0 1 0 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)- {pseudoionone}
III-13
8374. 112-45-8 0 1 0 10-Undecenal III-12
8375. 821-95-4 1 0 0 1-Undecene H3C-(CH2)8-CH=CH2 1.B-1
8376. 31613-73-7 0 1 0 5-Undecene, 5-methyl- H3C-(CH2)4-CH=C(CH3)-(CH2)3-CH3
1.B-1
8377. 129777-22-6 0 1 0 5-Undecene-2,10-dione, 4-hydroxy-4-methyl-7-(1-methylethyl)-, (E)-
II.A-5, III-13
8378. 692-86-4 0 1 0 10-Undecenoic acid, ethyl ester V-3
302
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8379. 29093-90-1 0 1 0 5-Undecen-2-one, 10-hydroxy-6,10-dimethyl- II.A-5, III-13
8380. 160115-56-0 0 1 0 6-Undecen-2-one, 10-(acetyloxy)-8,11-dihydroxy-8-methyl-5-(1-methylethyl)-11-(tetrahydro-5-hydroxy-2-methyl-2-furanyl)-
II.A-5, III-13, V-3, X-2
8381. 7440-61-1 1 1 1 Uranium U XX-5
8382. 13966-29-5 0 1 0 Uranium, isotope of mass 234 234
U XX-5
8383. 57-13-6 1 1 1 Urea H2N-CO-NH2 XIII-1
8384. 3060-89-7 1 1 1 Urea, N’-(4-bromophenyl)-N’-methoxy-N’-methyl- {Metobromuron®; Patoran®}
XVIII.B-3, XXI-3
Br NH-CO-N
OCH3
CH3
8385. 19937-59-8 0 1 0 Urea, N'-(3-chloro-4-methoxyphenyl)-N,N-dimethyl- {Metoxuron®}
XXI-3
8386. 1746-81-2 1 1 1 Urea, N’-(4-chlorophenyl)-N-methoxy-N-methyl-
{Linuron®, 30% of Molipan®}
XVIII.B-3, XXI-3
8387. 35367-38-5 1 1 1 Urea, 1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)- {Diflubenzuron®}
XXI-3
8388. 330-55-2 1 1 1 Urea, N’-(3,4-dichlorophenyl)-N-methoxy-N-methyl- {Monolinuron®, 20% of Molipan®}
XVIII.B-3, XXI-3
8389. 150-68-5 0 1 0 Urea, 1,1-dimethyl-3-(4-chlorophenyl) {Monuron®}
XVIII.B-3, XXI-3
8390. 330-54-1 0 1 0 Urea, 1,1-dimethyl-3-(3,4-dichlorophenyl) {Diuron®}
Cl NH-CO-N
CH3
CH3
Cl
XVIII.B-3, XXI-3
8391. 97-59-6 0 1 0 Urea, (2,5-dioxo-4-imidazolidinyl)- {allantoin} XIII-1, XVII.A-4
O
NHHN
H2N
O
ONH
8392. 9002-13-5 0 1 0 Urease XXII-2
8393. 58-96-8 0 1 0 Uridine O
O NO
OHOH
HOCH2
HN
II.A-5, X-2
8394. 133-89-1 0 1 0 Uridine 5'-(trihydrogen diphosphate), P'-α-D-glucopyranosyl ester
V-3
8395. 3616-06-6 0 1 0 Uridine 5'-(trihydrogen diphosphate), P'-α-D-xylopyranosyl ester
V-3
8396. 19253-25-9 0 1 0 Uridine 5'-(trihydrogen pyrophosphate), mono(6-deoxymannopyranosyl) ester
V-3
303
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8397. 58-97-9 0 1 0 5'-Uridylic acid
HO OH
OP
O
HO
OH
ON
NHO
O
IV.A-3, V-3
8398. 9026-22-6 0 1 0 Uridylyltransferase, glucose 1-phosphate XXII-2
8399. 94414-19-4 0 1 0 Urs-12-en-28-oic acid, 3,23-dihydroxy-, (3β,4α)- II.A-5, IV.A-3
8400. 77-52-1 0 1 0 Urs-12-en-28-oic acid, 3-hydroxy-, (3β)- II.A-5, IV.A-3
8401. 638-95-9 1 1 1 Urs-12-en-3-ol, (3β)- {α-amyrin}
HO
H3C CH3
H3C
CH3
CH3 CH3
CH3
H3C
II.A-5
8402. 7004-03-7 1 1 1 Valine (H3C)2=CH-CH(NH2)-COOH
IV.A-3, IV.B-7
8403. 72-18-4 0 1 0 L-Valine IV.A-3, IV.B-7
8404. 0 1 0 L-Valine, N-(1-deoxy-D-fructos-1-yl)- X-2
8405. 102851-06-9 0 1 0 Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-, cyano(3-phenoxyphenyl)methyl ester {Fluvalinate®}
Cl
F3C CH3H3C
NH
O CN
OO
V-3, X-2, XI-2, XVIII.B-3, XXI-3
8406. 7440-62-2 1 1 1 Vanadium V XX-5
8407. 1314-62-1 0 1 0 Vanadium pentoxide V2O5 XX-6
8408. 12001-76-2 0 1 0 Vitamin B II.A-5
8409. 7732-18-5 1 1 1 Water H2O XIX-5
8410. 92-83-1 1 0 0 9H-Xanthene {dibenzopyran}
O
9
X-2
8411. 6279-07-8 1 0 0 9H-Xanthene, 2-methyl- X-2
8412. 90-47-1 0 1 0 9H-Xanthen-9-one {xanthone}
O
O
III-13
8413. 9014-63-5 0 1 0 Xylan II.A-5, VIII-3
8414. 0 1 0 Xylan, 4’-O-methylglucuronyloxy)- II.A-5, VIII-3
8415. 9025-57-4 0 1 0 Xylanase, endo-1,4-β- XXII-2
8416. 87-99-0 0 1 0 Xylitol OH
OH
HO
HO-H2C
II.A-5
8417. 82796-87-0 1 0 0 D-Xylonic acid, δ-lactone II.A-5, VI-3
8418. 25990-60-7 1 1 1 Xylose O
OH
OH
OH
HO
I.A-5, X-2
8419. 31178-70-8 0 1 0 α-D-Xylose II.A-5, X-2
8420. 31178-71-9 0 1 0 β-d-Xylose II.A-5, X-2
304
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
S
T
S
T
Name (per CA Collective Index)
Selected structures
Chapter
Table
8421. 0 1 0 β-Xylosidase XXII-2
8422. 7440-64-4 1 1 1 Ytterbium Yb XX-5
8423. 7440-65-5 1 1 1 Yttrium Y XX-5
8424. 10098-91-6 0 1 0 Yttrium, isotope of mass 90 90
Y XX-5
8425. 7440-66-6 1 1 1 Zinc Zn XX-5
8426. 12122-67-7 0 1 0 Zinc, [[1,2-ethanediylbis[carbamodithioato]](2-)]- {Zineb®}
XVIII.A-1, XX-5, XXI-3
S- S-
Zn2+
S S
NHHN
8427. 18920-65-5 0 1 0 Zinc, bis(thiocarbamato)- XVIII.A-1, XX-6
8428. 23713-49-7 0 1 0 Zinc, ion Zn+2
XX-5
8429. 13982-39-3 1 1 1 Zinc, isotope of mass 65 65
Zn XX-5
8430. 7440-67-7 1 1 1 Zirconium Zr XX-5
Totals 5315
4994
1879
There were 292 partially identified isomers listed in the preceding index. Thus, the number of identified/partially identified components in tobacco and tobacco smoke totals 8622 (8430 + 292 - 100).