I nternational U niform C hemica L I nformation D atabase Stefan J. Scheer Rémi Allanou
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IUCLID course at the JRC, 1 - 2 October 2002 International Uniform ChemicaL Information Database Stefan J. Scheer Rémi Allanou IUCLID Basics II (Substances) IUCLID Practical Exercises
description
IUCLID. I nternational U niform C hemica L I nformation D atabase Stefan J. Scheer Rémi Allanou. IUCLID Basics II (Substances). Practical Exercises. The Splash screen. SUBSTANCE. SUBSTANCE. “fixed” identification: EINECS, CAS, TSCA, chemical formula. SUBSTANCE. SUBSTANCE. - PowerPoint PPT Presentation
Transcript of I nternational U niform C hemica L I nformation D atabase Stefan J. Scheer Rémi Allanou
IUCLID course at the JRC, 1 - 2 October 2002
International Uniform
ChemicaL
Information Database
Stefan J. ScheerRémi Allanou
IUCLID Basics II (Substances)
IUCLIDIUCLID
Practical Exercises
IUCLID course at the JRC, 1 - 2 October 2002
The Splash
screen
IUCLID course at the JRC, 1 - 2 October 2002
SUBSTANCE
DATA SET
SUBSTANCESUBSTANCE
SUBSTANCE
DATA SET
DATA SET DATA SET
DATA SET
“fixed” identification: EINECS,
CAS, TSCA,
chemical formula
“instance of substance”,
“dynamic” identification: company-defined;
tests, production etc.
DATA SET
IUCLID course at the JRC, 1 - 2 October 2002
Identification of a substance:
CAS number or
EINECS name or
EC number or
TSCA name or
Molecular formula or
Structural formula (one-dimensional representation)
Description or
Substance group allocation or
Information about molecular weight or
… … ...
IUCLID course at the JRC, 1 - 2 October 2002
IUCLID course at the JRC, 1 - 2 October 2002
To search for
a substance
IUCLID course at the JRC, 1 - 2 October 2002
To search for
a substance (cont.)
IUCLID course at the JRC, 1 - 2 October 2002
Define a new
substance
IUCLID course at the JRC, 1 - 2 October 2002
Define a substance (cont.)
IUCLID course at the JRC, 1 - 2 October 2002
Delete a substance
IUCLID course at the JRC, 1 - 2 October 2002
Substance 1 Substance 1 Substance 2
Template contains blue and red data
Category contains red and green data
Categories / Templates
Data related
to substance 1
Data related
to substance 1
Data related
to substance 2
IUCLID course at the JRC, 1 - 2 October 2002
Data set (for substance 1) Data set (for substance 99)
inheriting inheriting
Template (contai-
ning info for sub-
stance 1)
Container (with info
on substance 1 and
substance 2)
Substance 1 Substance 99
Template Category
Use of …
IUCLID course at the JRC, 1 - 2 October 2002
Templates/Categories
Substance 1
Data set A
Ch. 1.0.1Ch. 1.1.0
Ch. ……
Ch. 5.1.1Ch. 5.1.2
Substance 1
Data set A’
Ch. 1.0.1Ch. 1.1.0
Ch. ……
Ch. 5.1.1Ch. 5.1.1
Ch. 4.1Ch. 5.1.1Ch. …..…
common data for substance 1
IUCLID course at the JRC, 1 - 2 October 2002
IUCLID course at the JRC, 1 - 2 October 2002
IUCLID course at the JRC, 1 - 2 October 2002
BS2.1 [B] What is the EINECS No. of substances 50-00-0, 100-41-4, theMolecular Formula of substance 100-42-5, the CAS no. of “palmitic acid” (hint: look into the EINECS inventory)?BS2.2 [B] Query a substance with the CAS-No 100-41-4. Are there any data sets available already?BS2.3 [B] How many substances’ CAS numbers start with “107” and how many with “107-”? BS2.4 [A] You know a substance whose EINECS name is called “geraniol”; is it already in our system? What is its CAS number? Load the new substance into your system.BS2.5 [E] Try to define your “own” substance: “glue”. Give it a substance identification and a priority value. Save it.BS2.6 [E] Your American partners want to have the TSCA name of geraniol displayed. Therefore you decide to substitute the EC number with the TSCA name.BS2.7 [A] Define a template on geraniol. Give it a name and an appropriate comment.
Exercises
