Registration Dossier
Registration Dossier
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EC number: 250-195-3 | CAS number: 30431-54-0
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- Endpoint: Skin sensitation – Local Nymph Node Assay (LLNA)
Dependent variable: Ss
Model or submodel name: Nonlinear QSAR: ANN for classification of skin sensitization potential
Model version: 23.09.2009
descriptor domain All descriptor values for bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate fall in the applicability domain (training set value ±30%).
The prediction reliability in terms of ATE Category is estimated as 86 %.
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Skin sensitation (Local Nymph Node Assay) of bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate. Non-linear QSAR (ANN) assessment.
- Year:
- 2 018
- Bibliographic source:
- Nonlinear QSAR: ANN for classification of skin sensitization potential Model version: 23.09.2009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidane on CSA R.6
Test material
- Reference substance name:
- Bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalate
- EC Number:
- 250-195-3
- EC Name:
- Bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalate
- Cas Number:
- 30431-54-0
- Molecular formula:
- C26H24Cl6O8
- IUPAC Name:
- pentyl 2,3,5-trichloro-6-[(2-oxo-2-{3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenoxy}acetyl)oxy]benzoate
1
Results and discussion
In vivo (LLNA)
Results
- Key result
- Parameter:
- other: Ss
- Value:
- 0.37
- Remarks on result:
- positive indication of skin sensitisation based on QSAR/QSPR prediction
Applicant's summary and conclusion
- Interpretation of results:
- other: Moderate sensitizer
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