Registration Dossier
Registration Dossier
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EC number: 938-645-3 | CAS number: 1689515-39-6
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- September - October 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The objective of this study was to obtain predictions on the skin sensitisation of the 4 representative potential C12-alkyl derivatives present in the substance with the DEREK NEXUS programme.
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
- Principles of method if other than guideline:
- The objective of this study was to obtain predictions on the skin sensitisation of the 4 representative potential C12-alkyl derivatives present in the substance with the DEREK NEXUS programme. In this assessment version 2.0.0 of DEREK NEXUS was used. DEREK NEXUS is a knowledge-based system that contains over 700 toxicity alerts based on the presence of substructures. The system contains more than 50 alerts specific to skin sensitization. The rules are based on the presence of specific substructures, or chemical classes related to potential mechanisms for skin sensitization.
- GLP compliance:
- no
Test material
- Reference substance name:
- The 4 representative potential C12-alkyl derivatives present in the substance.
- IUPAC Name:
- The 4 representative potential C12-alkyl derivatives present in the substance.
- Test material form:
- other: not applicable
- Details on test material:
- - See section "confidential details on test material"
Constituent 1
Results and discussion
In vitro / in chemico
Results
- Key result
- Parameter:
- other: structural alerts
- Value:
- 0
- Remarks on result:
- other: For all 4 representative potential C12-alkyl derivatives present in the substance, DEREK NEXUS did not find any substructures in its database that fired an alert for sensitisation potential.
Any other information on results incl. tables
For all 4 representative potential C12-alkyl derivatives present in the substance, DEREK NEXUS did not find any substructures in its database that fired an alert for sensitisation potential.
Applicant's summary and conclusion
- Interpretation of results:
- other: DEREK NEXUS did not find any substructures in its database that fired an alert for sensitisation potential for all 4 representative potential C12-alkyl derivatives present in the substance
- Conclusions:
- The objective of this study was to obtain predictions on the skin sensitisation of 4 representative potential C12-alkyl derivatives present in the substance (monoamphoacetate A and B, and diamphoacetate A and B) with the DEREK NEXUS programme. In this assessment version 2.0.0 of DEREK NEXUS was used. DEREK NEXUS is a knowledge-based system that contains over 700 toxicity alerts based on the presence of substructures. The system contains more than 50 alerts specific to skin sensitization. The rules are based on the presence of specific substructures, or chemical classes related to potential mechanisms for skin sensitization. For all 4 representative potential C12-alkyl derivatives present in the substance, DEREK NEXUS did not find any substructures in its database that fired an alert for sensitisation potential.
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