CHEMLIST® – Chronicling the course of regulated chemistry

Roger Schenck Manager, CAS Content PlanningChemical Information DivisionFall 2011 ACS National Meeting

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.2

Agenda• An overview of the CAS databases

• CHEMLIST® overview

• Examples

• Summary and questions

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.3

ACS Mission

To advance the broader chemistry enterprise and its practitioners for the benefit of Earth and its people.

CAS Mission

To provide the world’s best digital research environment to search, retrieve, analyze and link chemical information.

CAS supports the mission of the ACS

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.4

CAS provides the world’s most complete and authoritative coverage of chemistry and related science

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.5

The number of small molecules in CAS REGISTRYSM has grown steadily over the past 20 years

CAS REGISTRYTotal number of small molecules

0

10,000,000

20,000,000

30,000,000

40,000,000

50,000,000

60,000,000

70,000,000

1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011YTD

SmallMolecules

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.6

EPA changes inventory update rule, again

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.7

CHEMLIST overview• Organized by substance

• Each record corresponds to a particular substance and its regulatory information, including:– Substance identity and inventory status– Sources– Regulatory activity summaries and reports– Compliance

• More than 282,000 substances

• Updated weekly

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.8

CHEMLIST covers national inventories and lists from 1979 to the present• For example -

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.9

Major inventories covered in CHEMLIST

USA/TSCA

CANADA/DSLEUROPE/EINECS/REACH

KOREA/ECL/KECL

JAPAN/ENCS

AUSTRALIA/AICS

PHILIPPINES/PICCS

NEW ZEALAND/NCloC

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.10

Sources of information for CHEMLIST

National Inventories

REACH

Inventory Update Rule (IUR)

TSCA Sections 4, 5, 8 and 12

High Production Volume (HPV) Lists

Superfund Lists

Restricted Lists (RSTR)

European Community Chemical Legislation

(EECL)

Canada: List of Toxic Substances

Hong Kong: Dangerous Goods

List

Singapore: List of Controlled

Substances

Mexico: Registry of Industrial Pollution

and Transfer (RETC)

Taiwan: Toxic Chemical

Substances List

Israel: Hazardous Substances List

TSCA (U.S.)

DSL/NDSL (Canada)

AICS (Australia)

PICCS (Philippines)

ECL (Korea)

EINECS (Europe)

Inventory of Notified New Substances

(Switzerland)

ENCS (Japan)

ELINCS (Europe)

NZIoC (New Zealand)

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.11

Sample CHEMLIST Record in STN

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.12

Same CHEMLIST information in SciFinder®

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CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.13

The hydrated form of this salt is in the CAS REGISTRY

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.14

CAS also covers the anhydrous form

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.15

Locate toxicology information for a known substance

Search Question

Find reports of adverse effects for 4-amino-2-nitrophenol

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CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.16

Let’s look for it in SciFinder

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CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.17

Retrieve papers, but only those related to adverse effects

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CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.18

Rank by citing references to find the most highly cited quickly

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Our starting material has few negative effects, so now let’s look into the potential reporting requirements

Search Question

Find REACH and TSCA inventory information for 4-amino-2-nitrophenol. Has any additional inventory information been reported for this substance?

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.20

CHEMLIST on STN® quickly provides inventory status

ENCS number is found in the Regulatory List Numbers (RLN) field, and TSCA inventory status is found in the Inventory Information (INV) field.

ENCS number is found in the Regulatory List Numbers (RLN) field, and TSCA inventory status is found in the Inventory Information (INV) field.

File Segment (FS) is a summary of locations where regulatory action appears.

File Segment (FS) is a summary of locations where regulatory action appears.

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.21

Specific information can be easily displayed

You can display specific points of interest listed in FA by using their field codes.

You can display specific points of interest listed in FA by using their field codes.

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.22

CHEMLIST contains non-English nomenclature

CHEMLIST includes CAS RNs for unambiguous identification, as well as common chemical names (CN) and inventory names. Non-English CNs are also included.

CHEMLIST includes CAS RNs for unambiguous identification, as well as common chemical names (CN) and inventory names. Non-English CNs are also included.

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.23

Now let’s take a look at a different kind of problem

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This company claims to use sustainable materials

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CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.25

Their technology is protected by trade secret

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.26

A quick search in CAplusSM reveals nearly 500 patents related to golf ball covers

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CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.27

Golf ball covers are made from polymeric materials

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.28

Modern golf ball technology developed along two pathsBalata cover

Polyurethane cover

Surlyn cover

• Developed almost simultaneously in the mid-60s

• Surlyn possessed better characteristics

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.29

Example: Patent for an environmentally safe golf ball

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Surlyn is an ionomer

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Surlyn in CHEMLIST

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National Chemical inventories™ (NCI) on CD is similar in content and features to CHEMLIST

• Multiple access points– CAS Registry Number® identifiers– Synonyms and trade names– Inventory numbers from specific inventories

• Fixed cost, updated twice a year

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.33

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CAS experts build and maintain TSCA inventory for the EPA• Have done so since 1979

• Check and verify all substance information and provide quality assurance for each substance

• Provide CA Index Names or CAS Registry Numbers (RNs) for Premanufacture Notification (PMN) submissions to the U.S. EPA or other government agencies

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.34

Inventory Expert Service (IES) from CAS• For PMN submissions to the U.S. EPA, or other governmental agencies

• Obtain a CAS Index Name and CAS Registry Number

• Rush service is available

• Helpful guidelines at:

http://www.cas.org/products/client/expert/iesbrief.html

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.35

Science IP® can help with your REACH registrationsSubstance identification parameters in REACH Annex VI item 2

September 13, 2011

CAS is a division of the American Chemical Society. Copyright 2011 American Chemical Society. All rights reserved.36

Thank You