Registration Dossier

Administrative data

Description of key information

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records
Reference
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
Guideline:
other: REACH Guidance on QSARs R.6 - Read across using the OECD QSAR Toolbox V3.1
Specific details on test material used for the study:
c1(S(=O)(=O)NN)ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1
Details on study design:
see attached report
Remarks on result:
other: QSAR prediction result
Remarks on result:
other: QSAR prediction result
Remarks on result:
other: QSAR prediction result

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 skinsenstisers 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.


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.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (sensitising)
Additional information:

No experimental data available for skin sensitization. The skin sensitization potential for OBSH has been predicted using grouping and read-across from relevant and comparable substances using the OECD Toolbox. The OECD Toolbox prediction showed a clear potential for skin sensitizing properties and classification should therfore apply. Thus, further investigation of this endpoint is not considered relevant.


Migrated from Short description of key information:
The substance is considered a skin sensitizer based on OECD Toolbox QSAR prediction,

Justification for selection of skin sensitisation endpoint:
No experimental study available. The skin sensitization has been predicted using grouping and read-across from relevant and comparable substances using the OECD Toolbox

Respiratory sensitisation

Endpoint conclusion
Endpoint conclusion:
no study available
Additional information:

NA


Migrated from Short description of key information:
NA

Justification for classification or non-classification

The OECD Toolbox prediction showed a clear potentail for skin sensitizing properties. On this basis, the substance shoudl be classified as Skin Sens. 1; H317