Acetic acid, 2-chloro-, reaction products with 2-C11-13-alkyl-4,5-dihydro-1H-imidazole-1-ethanol and sodium hydroxide

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:

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

Test material information

Constituent 1

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"

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.