Registration Dossier
Registration Dossier
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EC number: 945-909-1 | CAS number: 69415-01-6
Endpoint summary
Administrative data
Description of key information
SOFTWARE OECD QSAR Toolbox
MODEL (incl. version number) QSAR Toolbox V4.3
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation, other
- Remarks:
- OECD QSAR Toolbox prediction.
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- QSAR Report 3rd September 2020
- Reliability:
- 1 (reliable without restriction)
- 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:
- 1. SOFTWARE
OECD QSAR Toolbox
2. MODEL (incl. version number)
QSAR Toolbox V4.3
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Cl/C(Cl)=C(/c2ccc(OCC1CO1)cc2)c4ccc(OCC3CO3)cc4
For further information on method, applicability domains, revelvance of it and group members, please see the attached OECD QSAR Toolbox exported Rpediction and Cateogry reports. - Qualifier:
- no guideline available
- Principles of method if other than guideline:
- - Software tool(s) used including version:
OECD QSAR Toolbox V4
- Model description: see field 'Justification for non-standard information' and Attached Prediction and Cateogry Approach Reports. - GLP compliance:
- not specified
- Key result
- Reading:
- other: In sillico QSAR prediction.
- Remarks on result:
- positive indication of skin sensitisation
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- OECD QSAR Toolbox was used for read across analysis. A positive prediction for skin sensitisation potential was made based on comparison to a categeory of 6 similar substances.
Predicted value: Positive
Primary grouping/subcategorization:
- SN2 >> Ring opening SN2 reaction >> Epoxides, Aziridines and Sulfuranes (Protein binding by OASIS)
(primary grouping)
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
- Additional information:
OECD QSAR Toolbox was used for read across analysis. A positive prediction for skin sensitisation potential was made based on comparison to a categeory of 6 similar substances.
Predicted value: Positive
Justification for classification or non-classification
Sensitising Category 1 based on GHS criteria
OECD QSAR Toolbox was used for read across analysis. A positive prediction for skin sensitisation potential was made based on comparison to a categeory of 6 similar substances.
Predicted value: Positive
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
