Registration Dossier
Registration Dossier
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EC number: 473-730-4 | CAS number: 928768-73-4
Toxicity to reproduction
Administrative data
- Endpoint:
- screening for reproductive / developmental toxicity
- Remarks:
- other: Car-SAR SAR model for Human Developmental Toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- A validated qualitative SAR model was used to predict whether the test material was active in a model of human developmental toxicity. The result of the modeling exercise was a determination that the substance is not a developmental toxicant. This modeled conclusion and associated documents are satisfactory for meeting the registration obligation of EU Regulation No. 1907/2006, and are adequate for the needs of classification and labeling and risk assessment. Cat-SAR Human Developmental Toxicity 8-22-2014(QMRF 1.1) is a well acknowledged data- and information-intensive SAR expert system. Food and Drug Administration’s (FDA’s) Center for Drug Evaluation and Research (CDER) is actively using this model to explore their application in drug evaluations. See also: http://www.gnarus-systems.com/how-it-works/references/
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Referenceopen allclose all
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
- Reference Type:
- publication
- Title:
- Development of an information-intensive structure–activity relationship model and its application to human respiratory chemical sensitizers
- Author:
- A. R. CUNNINGHAM†*, S. L. CUNNINGHAM†, D. M. CONSOER†, S. T. MOSS† and M. H. KAROL
- Year:
- 2 005
- Bibliographic source:
- publication
- Report date:
- 2004
Materials and methods
Test guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment; Chapter R.6: QSARs and grouping of chemicals; May 2008
- Principles of method if other than guideline:
- a. Model or submodel name: Cat-SAR Human Developmental Toxicity 8-22-2014 (QMRF 1.1)
b. Model version: July 14, 2014 (QMRF 2.6)
c. D49_Devtox_human_FDA-teris
d. Link to reference: http://www.gnarus-systems.com/ - GLP compliance:
- not specified
- Remarks:
- not applicable - modelling
- Limit test:
- no
Test material
- Reference substance name:
- 2-Propanol, 1-[(2-hydroxyethyl)thio]-3-(octyloxy)-
- IUPAC Name:
- 2-Propanol, 1-[(2-hydroxyethyl)thio]-3-(octyloxy)-
- Reference substance name:
- 66033-87-0
- IUPAC Name:
- 66033-87-0
- Reference substance name:
- -
- EC Number:
- 473-730-4
- EC Name:
- -
- Cas Number:
- 928768-73-4
- Molecular formula:
- C13H28SO3
- IUPAC Name:
- 1-Octanol reaction products with epichlorhydrin and 2-mercaptoethanol
- Reference substance name:
- OCCSCC(COCCCCCCCC)O
- IUPAC Name:
- OCCSCC(COCCCCCCCC)O
- Test material form:
- liquid: viscous
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Results and discussion
Results: P0 (first parental generation)
Effect levels (P0)
- Dose descriptor:
- NOAEL
- Remarks:
- not applicable: modelling tool applied
- Effect level:
- other: no unit, this is filled to pass TCC as the remark in the Remarks field is not preventing TCC failure.
- Based on:
- other: not applicable: modelling tool applied
- Sex:
- not specified
- Basis for effect level:
- other: Effect levels were not determined. Modelling tool does not allow this determination.
- Remarks on result:
- not determinable
- Remarks:
- no NOAEL identified Generation: not applicable: modelling tool applied (migrated information)
Results: F1 generation
Effect levels (F1)
- Remarks on result:
- other: Car-SAR SAR model for Human Developmental Toxicity
Overall reproductive toxicity
- Reproductive effects observed:
- not specified
Any other information on results incl. tables
Cat-SAR Human Developmental Toxicity 8-22-2014 (QMRF 1.1)
Model version: July 14, 2014 (QMRF 2.6)
D49_Devtox_human_FDA-teris
It is predicted to be in the category: "Non Developmental Toxin".
See attached QPRF and QMRF.
Applicant's summary and conclusion
- Conclusions:
- The Cat-SAR model was used to assess reprotoxicity of 2-Propanol, 1-[(2-hydroxyethyl)thio]-3-(octyloxy)-, respectively 1-Octanol reaction products with epichlorhydrin and 2-mercaptoethanol, and it is predicted that the molecule has no structural features associated with reproductive toxicity.
It is predicted to be in the category: "Non Developmental Toxin". - Executive summary:
The Cat-SAR model was used to assess reprotoxicity of 2-Propanol, 1-[(2-hydroxyethyl)thio]-3-(octyloxy)-, respectively 1-Octanol reaction products with epichlorhydrin and 2-mercaptoethanol, and it is predicted that the molecule has no structural features associated with reproductive toxicity.
It is predicted to be in the category: "Non Developmental Toxin".
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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