Registration Dossier
Registration Dossier
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EC number: 201-288-2 | CAS number: 80-53-5
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 10-10-2020
- 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:
- 1. SOFTWARE
Leadscope
2. MODEL (incl. version number)
Leadscope Model Applier v3.0.0-30
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles: CC(C)(O)C1CCC(C)(O)CC1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF
5. APPLICABILITY DOMAIN
See attached report
6. ADEQUACY OF THE RESULT
See attached report
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR study result
- GLP compliance:
- no
- Justification for non-LLNA method:
- QSAR study result
Test material
- Reference substance name:
- p-menthane-1,8-diol
- EC Number:
- 201-288-2
- EC Name:
- p-menthane-1,8-diol
- Cas Number:
- 80-53-5
- Molecular formula:
- C10H20O2
- IUPAC Name:
- 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
- Test material form:
- solid
Constituent 1
In vivo test system
Test animals
- Species:
- other: not applicable
- Strain:
- other: not applicable
- Details on test animals and environmental conditions:
- not applicable
Results and discussion
In vitro / in chemico
Results
- Key result
- Parameter:
- other: QSAR result
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- The following Leadscope Model Applier Suites were used in the prediction of toxicity calls for the structure: Skin Sensitization
Model: h-CLAT Model v2
QSAR prediction: Negative
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Leadscope evaluation showed no alerts for skin sensitisation.
- Executive summary:
Leadscope Model Applier v3.0.0-30 was used to predict the skin sensitisation potential of 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
The query structure was predicted as negative for skin sensitisation using Leadscope (h-CLAT model v2).
Leadscope evaluation predicted 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol as non-sensitiser to skin.
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