Registration Dossier
Registration Dossier
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EC number: 233-242-2 | CAS number: 10099-70-4
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- July 10, 2020
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- The model is been assessed according to the OECD principles for the validation of QSAR, to generate a transparent, understandable, reproducible and verifiable result.
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Reference
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- July 10, 2020
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- The model is been assessed according to the OECD principles for the validation of QSAR, to generate a transparent, understandable, reproducible and verifiable result.
- Qualifier:
- according to guideline
- Guideline:
- other: ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals
- Principles of method if other than guideline:
- Prediction was calculated using QSAR Toolbox v.4.4.1
Data gap filling method: Trend analysis, executed via AW "Skin sensitization" - Parameter:
- EC3
- Remarks on result:
- positive indication of skin sensitisation based on QSAR/QSPR prediction
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- Diisopropyl maleate is predicted to exhibit skin sensitisation by QSAR Toolbox, evaluating Local Lymph Node Assay (LLNA) experimental existing data on similar substances.
- Executive summary:
Diisopropyl maleate is predicted to exhibit skin sensitisation by QSAR Toolbox, evaluating Local Lymph Node Assay (LLNA) experimental existing data on similar substances.
Data source
Reference
- Reference Type:
- review article or handbook
- Title:
- Automated and Standardized workflows for predicting Acute aquatic toxicity and Skin sensitization
- Author:
- Laboratory of Mathematical Chemistry, Bourgas University “Prof. Assen Zlatarov”, Bulgaria
- Year:
- 2 017
- Bibliographic source:
- https://www.qsartoolbox.org/documents/21638082/21638271/2_qsar_toolbox_4_workflows_for_ecotox_and_skin_+sens_en.pdf
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other:
- Version / remarks:
- ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals
- Principles of method if other than guideline:
- Prediction was calculated using QSAR Toolbox v.4.1
Data gap filling method: Trend analysis, executed via AW "Skin sensitization" - Justification for non-LLNA method:
- The prediction is based on Guinea Pig Maximisation Test (GPMT) experimental existing data.
Test material
- Reference substance name:
- Diisopropyl maleate
- EC Number:
- 233-242-2
- EC Name:
- Diisopropyl maleate
- Cas Number:
- 10099-70-4
- Molecular formula:
- C10H16O4
- IUPAC Name:
- dipropan-2-yl (Z)-but-2-enedioate
Constituent 1
In vivo test system
Test animals
- Species:
- guinea pig
Results and discussion
In vivo (non-LLNA)
Results
- Remarks on result:
- positive indication of skin sensitisation
Applicant's summary and conclusion
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- Diisopropyl maleate is predicted to exhibit skin sensitisation by QSAR Toolbox, evaluating Guinea Pig Maximisation Test (GPMT) experimental existing data on similar substances.
- Executive summary:
Diisopropyl maleate is predicted to exhibit skin sensitisation by QSAR Toolbox, evaluating Guinea Pig Maximisation Test (GPMT) experimental existing data on similar substances.
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