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Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation, other
Remarks:
other: Calculated
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR System-Substance is in domain of the system.
Justification for type of information:
QSAR prediction
Validated QSAR System-Substance is in domain of the system.

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2010

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
A quantitive structure-activity relationship (QSAR) system for the estimation of the skin sensitization potency that incorporates skin metabolism and consideres the potential of parent chemicals and/or their activated metabolites to react with skin proteins. A chemically divers training set was used and their skin sensitization potency assigned to one of three classes.
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
Diisononyl adipate
EC Number:
251-646-7
EC Name:
Diisononyl adipate
Cas Number:
33703-08-1
IUPAC Name:
bis(7-methyloctyl) adipate
Details on test material:
no data

Results and discussion

In vitro / in chemico

Results
Key result
Parameter:
other: QSAR
Remarks on result:
other: The QSAR program calculated a negative sensitization potential of the test substance.

Any other information on results incl. tables

The QSAR program calculated a negative sensitization potential of the test substance.

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met