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EC number: 220-977-9 | CAS number: 2956-12-9
Developmental toxicity / teratogenicity
Administrative data
- Endpoint:
- developmental toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction:Accepted DART QSAR method for chemicals properties assessment.. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals.
Data source
Referenceopen allclose all
- Reference Type:
- other: QSAR model
- Title:
- Unnamed
- Year:
- 2 014
- Reference Type:
- publication
- Title:
- Comparison of developmental toxicology of Aspirin in rats and rabbits when administered throughout organogenesis or during sensitive windows of development
- Author:
- Cappon GD, Gupta U, Cook JC, Tassinari MS, Hurtt ME
- Year:
- 2 003
- Bibliographic source:
- Birth Defects Research (part B) 68:38-46
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR Toolbox Version 3.3.5.17
- Principles of method if other than guideline:
- This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals.
- GLP compliance:
- no
- Remarks:
- not applicable DART QSAR method for chemicals properties assessment..
- Limit test:
- no
Test material
- Reference substance name:
- S-allyl O-pentyl dithiocarbonate
- EC Number:
- 220-977-9
- EC Name:
- S-allyl O-pentyl dithiocarbonate
- Cas Number:
- 2956-12-9
- Molecular formula:
- C9H16OS2
- IUPAC Name:
- (pentyloxy)(prop-2-en-1-ylsulfanyl)methanethione
Constituent 1
Test animals
- Species:
- rat
- Strain:
- other: QSAR model
Administration / exposure
- Route of administration:
- other: QSAR model
- Vehicle:
- other: QSAR model
- Details on exposure:
- This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 716 chemicals (664 positive, 16 negative, and 36 with insufficient data) that have been evaluated for their DART potential. These chemicals were grouped into 25 different categories, and 129 sub-categories, based on defined receptor binding and chemical properties, and when known, their MOA. Data is separated into two types of endpoints: developmental and reproductive toxicity. Detailed information for the effect associated with observed data is available in the metadata information of the database.
- Analytical verification of doses or concentrations:
- no
- Details on mating procedure:
- QSAR model
- Duration of treatment / exposure:
- QSAR model
- Frequency of treatment:
- QSAR model
- Duration of test:
- QSAR model
- Control animals:
- other: QSAR model
Examinations
- Maternal examinations:
- This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 716 chemicals (664 positive, 16 negative, and 36 with insufficient data) that have been evaluated for their DART potential. These chemicals were grouped into 25 different categories, and 129 sub-categories, based on defined receptor binding and chemical properties, and when known, their MOA. Data is separated into two types of endpoints: developmental and reproductive toxicity. Detailed information for the effect associated with observed data is available in the metadata information of the database.
- Fetal examinations:
- This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 716 chemicals (664 positive, 16 negative, and 36 with insufficient data) that have been evaluated for their DART potential. These chemicals were grouped into 25 different categories, and 129 sub-categories, based on defined receptor binding and chemical properties, and when known, their MOA. Data is separated into two types of endpoints: developmental and reproductive toxicity. Detailed information for the effect associated with observed data is available in the metadata information of the database.
Results and discussion
Results: maternal animals
Maternal developmental toxicity
- Details on maternal toxic effects:
- Maternal toxic effects:yes
Details on maternal toxic effects:
No adverse effects on the highest dose tested according the DART QSAR method for chemicals properties assessment..
This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 716 chemicals (664 positive, 16 negative, and 36 with insufficient data) that have been evaluated for their DART potential.
Effect levels (maternal animals)
- Dose descriptor:
- NOAEL
- Effect level:
- 385 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Basis for effect level:
- other: developmental toxicity
Results (fetuses)
- Fetal body weight changes:
- no effects observed
- Details on embryotoxic / teratogenic effects:
- Embryotoxic / teratogenic effects:no effects
Effect levels (fetuses)
- Basis for effect level:
- other: Embryotoxic / teratogenic effects:no effects
- Remarks on result:
- other: No adverse effects on the highest dose tested according the DART QSAR method for chemicals properties assessment.. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals.
Fetal abnormalities
- Abnormalities:
- not specified
Overall developmental toxicity
- Developmental effects observed:
- not specified
Any other information on results incl. tables
See attached QSAR study report
Applicant's summary and conclusion
- Conclusions:
- NOAEL for developmental toxicity was 385 mg/kg bw/day (No adverse effects on the highest dose tested) for S-allyl O-pentyl dithiocarbonate and does not cause developmental toxicity.
Developmental & Reproductive Toxicity (DART): Not known precedent reproductive and developmental toxic potential (DART scheme v.1.0) - Executive summary:
Profiling results:
DNA binding by OECD: No alert found
Est rogen Receptor Binding :Non binder, non cyclic structure
OECD HPV Chemical Categories \;Not categorized
Developmental & Reproductive Toxicity (DART): Not known precedent reproductive and developmental toxic potential (DART scheme v.1.0)
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