Registration Dossier
Registration Dossier
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EC number: 612-722-9 | CAS number: 61931-07-5
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- (Q)SAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- SOFTWARE
QSAR DYES R&C
Report produced by version QSAR dyes R&C 2.0
Developed by Milano Chemometrics and QSAR Research Group, Dept. Earth and Environmental
Sciences, University Milano-Bicocca, Italy.
Details about the tool are included into the attachment.
Data source
Reference
- Reference Type:
- other: (Q)SAR report
- Title:
- Unnamed
- Year:
- 2 016
Materials and methods
- Principles of method if other than guideline:
- QSAR Prediction. Details on the QSAR model used are reported in the attachment (i.e. (Q)SAR model reporting (QMRF)).
- GLP compliance:
- no
- Type of assay:
- other: QSAR prediction
Test material
- Reference substance name:
- Reaction products of diazotised 4'-aminoazobenzene-4-sulphonic acid, coupled with resorcinol and diazotised sodium 4-aminobenzenesulfonate, sodium salts
- EC Number:
- 612-722-9
- Cas Number:
- 61931-07-5
- Molecular formula:
- not applicable
- IUPAC Name:
- Reaction products of diazotised 4'-aminoazobenzene-4-sulphonic acid, coupled with resorcinol and diazotised sodium 4-aminobenzenesulfonate, sodium salts
- Test material form:
- solid: particulate/powder
Constituent 1
Results and discussion
- Remarks on result:
- no mutagenic potential (based on QSAR/QSPR prediction)
Applicant's summary and conclusion
- Conclusions:
- The substance is expected to be negative in the mutagenicity AMES assay, on basis of the QSAR prediction.
- Executive summary:
The AMES Mutagenicity potential of the substance was investigated using a specific QSAR model, developed to predict the skin AMES Mutagenicity potential for dyes. The existing QSAR models have strong limitations to predict ionic complex structures as the organic dyes are, and consequently they provide unreliable results. The QSAR modelling was developed in accordance with the OECD principles (details in the documentation attached).
Based on the estimation, the substance is expected to be negative in the AMES Mutagenicity assay. The estimation resulted to be in the applicability domain of the model.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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