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Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation
Remarks:
other: QSAR
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:
2011
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
Name:
Unnamed
Type:
Constituent
Test material form:
other: not applicable
Details on test material:
- See section "confidential details on test material"

Results and discussion

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
Remarks:
Criteria used for interpretation of results: other: DEREK assessments
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.