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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
skin sensitisation, other
Remarks:
QSAR 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, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
No testing data on skin sensitisation is available for Toluene-4-sulphonohydrazid (TSH).

Predictions performed on dataset from different in silico prediction models (Danish QSAR database, QSAR Vega, ToxTree; OECD QSAR Toolbox) no valid conclusion can be derived for skin sentisation of TSH.

Data source

Reference
Reference Type:
other: Q(SAR) prediction report
Title:
(Q)SAR predicted profile for toluene-4-sulphonohydrazide
Year:
2022
Bibliographic source:
Danish Q(SAR) database
Report date:
2022

Materials and methods

Principles of method if other than guideline:
in silico prediction models
- Danish QSAR database
- QSAR Vega (v 1.2.0)
- ToxTree (v3.1.0-1851-1525442531402)
- OECD QSAR Toolbox


Test material

Constituent 1
Chemical structure
Reference substance name:
Toluene-4-sulphonohydrazide
EC Number:
216-407-3
EC Name:
Toluene-4-sulphonohydrazide
Cas Number:
1576-35-8
Molecular formula:
C7H10N2O2S
IUPAC Name:
toluene-4-sulphonohydrazide
Test material form:
solid: particulate/powder

Results and discussion

In vitro / in chemico

Results
Key result
Group:
other:
Run / experiment:
other: QSAR prediction
Parameter:
other: QSAR prediction
Cell viability:
QSAR model
Vehicle controls validity:
not examined
Negative controls validity:
not examined
Positive controls validity:
not examined
Remarks on result:
other: No valid prediction could be derived from QSAR models

In vivo (non-LLNA)

Results
Key result
Reading:
other: QSAR prediction
Group:
other: QSAR prediction
Remarks on result:
other: No valid prediction could be derived from QSAR models

In vivo (LLNA)

Results
Key result
Parameter:
other: QSAR prediction
Remarks on result:
other: No valid prediction could be derived from QSAR models

Any other information on results incl. tables

No testing data on skin sensitisation available for TSH.


Using different QSAR models, no valid prediction could be made. Only one model predicted TSH to have skin sensitising properties, but this prediction was with low reliability.


The presumed breakdown product of Toluene-4-sulphonohydrazid (TSH), hydrazine (CAS No. 302-01-2), is officially recognized in the EU as a skin sensitizing compound and has a harmonized classification for Skin Sens. 1 (H317). When applied to skin, TSH is expected to slowly hydrolyse to hydrazine due to the moisture in the skin. A small amount of hydrazine may be generated and could induce skin sensitisation. 


 


Therefore, as a precautious approach TSH is classified accordingly as a skin sensitiser (Skin Sens. 1 (H317).


 

Applicant's summary and conclusion

Interpretation of results:
Category 1 (skin sensitising) based on GHS criteria
Conclusions:
The presumed breakdown product of Toluene-4-sulphonohydrazid (TSH), hydrazine (CAS No. 302-01-2), is officially recognized in the EU as a skin sensitizing compound and has a harmonized classification for Skin Sens. 1 (H317). When applied to skin, TSH is expected to slowly hydrolyse to hydrazine due to the moisture in the skin. A small amount of hydrazine may be generated and could induce skin sensitization.
Executive summary:

No testing data on skin sensitisation is available for Toluene-4-sulphonohydrazid (TSH). 


Form QSAR prediction on skin sensitisation using the Danish QSAR database (see attached prediction report), no valid prediction could be derived using a battery approach (3 seperate predictions from CASE Ultra, Leadscope and SciQSAR). The predictions for skin sensitisation and irritation in animal models (Guinea pig and rabbit) was outside applicability domain. Further, in the same prediction report from the Danish QSAR database, no alert for protein binding and potency estimation was found using different models (OASIS, OECD QSAR Toolbox, DRPA).


Prediction on skin sensitisation of TSH using the QSAR Vega tool (CAESAR model) revealed a positive prediction but with low reliability score (see attached prediction report). 


Also, using the Toxtree programme, no alrets was identified for skin sensitisastion. 


Based on the overall dataset from different in silico prediction models (Danish QSAR database, QSAR Vega, ToxTree; OECD QSAR Toolbox) no valid conclusion can be derived for skin sentisation of TSH.


The presumed breakdown product of Toluene-4-sulphonohydrazid (TSH), hydrazine (CAS No. 302-01-2), is officially recognized in the EU as a skin sensitizing compound and has a harmonized classification for Skin Sens. 1 (H317). When applied to skin, TSH is expected to slowly hydrolyse to hydrazine due to the moisture in the skin. A small amount of hydrazine may be generated and could induce skin sensitisatin. 


Thus, a precautinary approach would be to consider TSH as a skin sensitiser and classify accordingly (Skin Sens. 1 (H317).