International Uniform ChemicaL Information Database

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International Uniform ChemicaL Information
Database Stefan J. Scheer Rémi Allanou
IUCLID
Principles of Data Sets I Exercises
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Data Set Identification
Substance (substance ID) and Company name
(name of the company that created the data set)
and Date (when the data set was created by the
company) and unique internal number (DSN data
set number)
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Data set
Producer related part harmonized DS, referenced
DS, use of template
Substance related part main chapters,
sub-chapters, records, creation of templates
PIN system to identify company/organisation
(within an hierarchy), to add and to edit
particular data, to ensure data security.
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SUBSTANCE
SUBSTANCE
fixed identification EINECS, CAS,
TSCA, chemical formula
SUBSTANCE
SUBSTANCE
instance of substance, dynamic
identification company-defined tests,
production etc.
DATA SET
DATA SET
DATA SET
DATA SET
DATA SET
DATA SET
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Data Sets And Records
Data set (PRP) DS id, company id, date
Substance definition
Chapter 2.1, 2 records
Chapter 5.0.1, 3 records
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Chapter 1.0.1, 1 record
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Practical Exercises
B Edit the data set for 111-77-3 and answer the
following questions DS1.1 B The data of how
many companies is united within this data
set? DS1.2 B In which range is the
(accumulated) amount of production? DS1.3 B
Look into chapter Acute Oral Toxicity. What are
the confidence limits of the guinea pig test
reported by Smyth and Seaton in 1941? DS1.4 A
Have templates been inserted for this data
set? DS1.5 E In how many references does
Smyth occur? DS1.6. B Harmonized Data
Set You are working for the European Commission
European Chemicals Bureau. Although no
source-related data exist, your superior asks you
to create a data set for geraniol. Insert the
following data Date lttodaygt Locked
no Comment New ref. data set on geraniol,
DS1.6
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Practical Exercises (cont.)
DS1.7 B Edit the data set and continue with
inserting As applicant information you
choose Type formulator Name European
Commission European Chemicals Bureau
Contact person ltyour namegt Date
lttodaygt Leave the other fields empty. DS1.8 B
As general substance information you
write Purity type measured for specific
batch Substance type organic Physical status
liquid Purity ca. 94 g/l Color clear, pale
yellow Odor like geranium
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Practical exercises (cont.)
DS1.9 A As detailed use pattern you have to
create two times three records concerning the
Product Type/Subgroup (the table values are in
tons) 1998 1999 2000 Human hygiene
biocidal products 5 4 6 Attractants and
repellents not applied 12 11 13 Hint
Search for attractants! DS1.10 B (MIGHT BE
SKIPPED) As physico-chemical data youll have to
write Boiling point ca. 230 degree C at 1000
hPa (decomp. no, method OECD 103, year 1963,
GLP no, test substance no data Density Type
density, value 0.877 088 g/cm3 at 20 degree C
(method OECD 109, year 1970, GLP no, test
substance no data) Vapour Pressure lt 1 hPa at
20 degree C (decompo. no, method OECD 104,
year 1988, GLP no, test substance no data)
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Practical Exercises (cont.)
DS1.11 B (MIGHT BE SKIPPED) Now type in
information concerning Biodegradation Type.
aerobic, Inoculum aerobic microorganisms,
Concent. 100 mg/l related to test substance,
Degrad. 86 after 28 day(s), Result readily
biodegradable, Method Directive 84/449/EEC,
C.4, Year 1992, GLP yes, Test substance as
prescribed by 1.1 1.4 DS1.12 A Finally you
have to add two tests for sub-chapter Acute Oral
Toxicity First test Type LD50, Value 3600
mg/kg bw, Species rat, Strain Osborne-Mendel,
Sex no data, Vehicle no data, Doses no data,
Method other, Year 1964, GLP no, Test
substance no data. Second test Type LD50,
Value 4800 mg/kg bw, Strain no data, Sex no
data, Vehicle other propylene glycol, Method
other, Year 1962, GLP no, Test substance no
data.