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Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation, other
Remarks:
Toxtree prediction
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
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:
Please refer to the QMRF and QPRF files provided under the section attached justification.

Data source

Referenceopen allclose all

Reference Type:
other company data
Title:
Unnamed
Year:
2020
Report Date:
2020
Reference Type:
publication
Title:
Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach.
Author:
Enoch SJ, Madden JC, Cronin MT
Year:
2008
Bibliographic source:
SAR QSAR Environ Res 19(5-6):555-78

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Guidance on information requirements and chemical safety assessment, Chapter R.6: QSARs and grouping of chemicals
Version / remarks:
Version 1.0 (May 2008)
Deviations:
no
Principles of method if other than guideline:
Estimation of skin sensitizing potential using Toxtree.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Specific details on test material used for the study:
SMILES : OCCOCC=C

Results and discussion

In vitro / in chemico

Results
Key result
Parameter:
other: Skin sensitisation reactivity domains alerts.
Remarks on result:
other: QSAR predicted value. No skin sensitisation potential identified.

Applicant's summary and conclusion

Interpretation of results:
study cannot be used for classification