Registration Dossier
Registration Dossier
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EC number: 201-288-2 | CAS number: 80-53-5
Skin irritation / corrosion
Administrative data
- Endpoint:
- skin irritation / corrosion, 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 limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
Toxtree
2. MODEL (incl. version number)
Toxtree v3.1.0
Profiler used: Skin Irritation/ Skin Corrosion
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 document from Toxtree website discussing the profiler used to generate this prediction.
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
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 vitro test system
- Test system:
- other: QSAR study
- Source species:
- other: not applicable
- Cell type:
- other: not applicable
- Cell source:
- other: not applicable
- Source strain:
- other: not applicable
- Details on animal used as source of test system:
- not applicable
- Justification for test system used:
- QSAR study result
- Vehicle:
- other: not applicable
- Details on test system:
- not applicable
- Control samples:
- other: not applicable
- Amount/concentration applied:
- not applicable
- Duration of treatment / exposure:
- not applicable
- Duration of post-treatment incubation (if applicable):
- not applicable
- Number of replicates:
- not applicable
Test animals
- Species:
- other: not applicable
- Strain:
- other: not applicable
- Details on test animals or test system and environmental conditions:
- not applicable
Test system
- Type of coverage:
- other: not applicable
- Preparation of test site:
- other: not applicable
- Vehicle:
- other: not applicable
- Controls:
- other: not applicable
- Amount / concentration applied:
- not applicable
- Duration of treatment / exposure:
- not applicable
- Observation period:
- not applicable
- Number of animals:
- not applicable
- Details on study design:
- QSAR study
Results and discussion
In vitro
Results
- Irritation / corrosion parameter:
- other: QSAR result
- Remarks on result:
- no indication of irritation
- Other effects / acceptance of results:
- No structural alerts were identified for skin irritation/skin corrosion for 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol using Toxtree v3.1.0.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Toxtree evaluation showed no alerts for skin irritation/ skin corrosion.
- Executive summary:
Toxtree v3.1.0 was used to predict the skin irritation/corrosion potential of 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
The query structure does not match any structural alerts or examples for skin irritation/corrosion in Toxtree.
Toxtree evaluation showed no alerts for skin irritation/corrosion.
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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