Tetrabutylthioperoxydicarbamic acid

Skin sensitisation

Administrative data

Endpoint:

skin sensitisation, other

Remarks:

QSAR Studies

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

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:

A screening QSAR study was undertaken to confirm the likelihood of the tetrabuylthiuram disulphide exhibiting skin sensitisation behaviour with other structural analogs. Unfortunately there were only shorter-chain length compounds as comparators which showed skin sensitsation but it was noted as the ligands got longer and larger the degree of skin sensitization dropped as ligands increased in size.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)

Deviations:

not applicable

GLP compliance:

not specified

Justification for non-LLNA method:

QSAR study used to predict the behaviour of tetrabutyl thiuram disulphide.

Test material

Test material information

Constituent 1

Reference substance name:

Tetrabutylthioperoxydicarbamic acid

EC Number:

216-652-6

EC Name:

Tetrabutylthioperoxydicarbamic acid

Cas Number:

1634-02-2

Molecular formula:

C18H36N2S4

IUPAC Name:

tetrabutylthioperoxydicarbamic acid

Test material form:

liquid

Results and discussion

In vivo (LLNA)

Results

Key result

Parameter:

EC3

Value:

>= 35

Any other information on results incl. tables

For classification purposes values below 2% would trigger a skin sensitization classification (1B) and <1% a 1A classification.

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Conclusions:

The QSAR study indicated a "plausible" response compared to other model thiuram compounds (all having shorter ligands compared to TBUT). However, a paper by De Jong et all (cited within the report) has indicated that the EC3 value for the tetrabutyl thiuram disulfide is very low down the ranking order for skin sensitization making the conclusion for the QSAR study to evaluate the tetrabutyl-compound as a very weak sensitiser (but not sufficient to classify).

Additionally, reading from the tributylthiuram disulfide dossier (CAS No. 2422-88-0), which is a structural analog for tetrabutylthiuram disulfide (one less butyl ligand). The LLNA test indicated it was not a skin sensitiser so there is a strong argument (by weight of evidence) to indicate that the tetrabutyl thiuram disulfide compound shoud exhibit zero skin sensitisation behaviour.