Registration Dossier
Registration Dossier
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EC number: 233-439-3 | CAS number: 10169-02-5
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2021
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- The prediction has been carried out by means of QSAR prediction, using the following models:
• “Pred-Skin Integrative Bayesian Model for predicting human skin sensitization”. The relative QMRF is available as attached file (7.4.1 - EC 233-439-3 - Acid Red 97 - PredSkin - QMRF.pdf).
• “SciMatics SciQSAR version of commercial CASE Ultra model A33 for allergic contact dermatitis (ACD) in guinea pig and human, Danish QSAR Group at DTU Food”. The relative QMRF is available as attached file (7.4.1 - EC 233-439-3 - Acid Red 97 - SciQSAR - QMRF.pdf).
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 021
Materials and methods
- Principles of method if other than guideline:
- In-Silico prediction (QSAR) has been used to cover the present endpoint. The aim of this prediction is to contribute through a weight of evidence approach to the assessment of the Skin Sensitization potential in order to satisfy the REACH requirements for the registration dossier using non-testing methods.
A total of two independent models have been applied. - Justification for non-LLNA method:
- not reported
Test material
- Reference substance name:
- Disodium 4,4'-bis(2-hydroxynaphthalen-1-ylazo)biphenyl-2,6'-disulphonate
- EC Number:
- 233-439-3
- EC Name:
- Disodium 4,4'-bis(2-hydroxynaphthalen-1-ylazo)biphenyl-2,6'-disulphonate
- Cas Number:
- 10169-02-5
- Molecular formula:
- C32H20N4Na2O8S2
- IUPAC Name:
- NA
Constituent 1
- Specific details on test material used for the study:
- CAS number: 10169-02-5
EC number: 233-439-3
Chemical name:
disodium 4,4'-bis(2-hydroxynaphthalen-1-ylazo)biphenyl-2,6'-disulphonate
Structural formula: C32 H22 N4 O8 S2
SMILES:
[Na+].[Na+].[O]S(=O)(=O)C1=CC(=CC=C1C1=CC=C(C=C1S([O])(=O)=O)N=NC1C2=CC=CC=C2C=CC=1O)N=NC1C2=CC=CC=C2C=CC=1O
The test substance is a di-sodium salt, diazo compound.
The SMILES used for the prediction obtained through SciQSAR is neutralized:
c1(N=Nc2cc(S(=O)(=O)O)ccc2)c2c(c(N=Nc3c(OCC)ccc(C)c3)cc1)cccc2
Results and discussion
In vivo (non-LLNA)
Results
- Remarks on result:
- not measured/tested
Applicant's summary and conclusion
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- Both applied models predict the test material as Skin Sensitizer.
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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