Registration Dossier

Toxicological information

Skin sensitisation

Currently viewing:

Administrative data

Endpoint:
skin sensitisation, other
Remarks:
in vivo
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
The prediction was based on dataset comprised from the following descriptors: "A B C" Estimation method: Takes highest mode value from the 5 nearest neighbours Domain  logical expression:Result: In Domain ("a" and ("b" and "c" )  ) Domain logical expression index: "a" Referential boundary: The target chemical should be classified as SN1 AND SN1 >> Carbenium Ion Formation AND SN1 >> Carbenium Ion Formation >> Hydrazine by DNA binding by OECD Domain logical expression index: "b" Parametric boundary:The target chemical should have a value of log Kow which is >= -1.58 Domain logical expression index: "c" Parametric boundary:The target chemical should have a value of log Kow which is <= 0.797

Data source

Reference
Reference Type:
other: Read across
Title:
02.05.2013 09:28 [R]: Positive; Estimation for A B C for CAS 80-51-3
Author:
Keyser, D., E. Schelede (eds.)
Year:
2001
Bibliographic source:
Medizin&Wissen Verlagges, Munchen, ISBN 3-86094-163-1

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6 - Read across using the OECD QSAR Toolbox V3.1

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
not specified
Details on test material:
SMILES:c1(S(=O)(=O)NN)ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1
Specific details on test material used for the study:
c1(S(=O)(=O)NN)ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1

Results and discussion

In vitro / in chemico

Results
Remarks on result:
other: QSAR prediction result

In vivo (non-LLNA)

Results
Remarks on result:
other: QSAR prediction result
Remarks:
QSAR prediction made using the OECD QSAR Toolbox

In vivo (LLNA)

Results
Remarks on result:
other: QSAR prediction result

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: "A B C"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

("a" and ("b" and "c" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as SN1 AND SN1 >> Carbenium Ion Formation AND SN1 >> Carbenium Ion Formation >> Hydrazine by DNA binding by OECD

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.58

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.797

The Toolbox made read-across from phenylhydrazine CAS 100 -63 -0 and from mercapto-acetic acid hydrazide CAS 760 -30 -5 both of which were considered as skin senstisers and predicted OBSH to be positive for skin sensitisation.

This can supported by the fact that OBSH by hydrolysis generate hydrazine which is CLH-classified as Skin sens. 1.


Applicant's summary and conclusion

Interpretation of results:
other: Positive
Remarks:
Criteria used for interpretation of results: EU
Conclusions:
Test substance is a skin sensitizer based on OECD-toolbox prediction and read-across
Executive summary:

OECD QSAR Toolbox V3.1 has been used and read across results showed that the substance is a skin sensitizer.

The Toolbox made read-across from phenylhydrazine CAS 100 -63 -0 and from mercapto-acetic acid hydrazide CAS 760 -30 -5 both of which were considered as skinsenstisers and predicted OBSH to be positive for skin sensitisation.

This can be supported by the fact that OBSH by hydrolysis generate hydrazine which is CLH-classified as Skin sens. 1.