Registration Dossier
Registration Dossier
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EC number: 201-288-2 | CAS number: 80-53-5
Endpoint summary
Administrative data
Description of key information
Skin irritation/corrosion:
Not irritant to skin. No structural alerts were identified for skin irritation/corrosion using Nexus Derek and Toxtree (WoE, Kr.2)
Eye irritation/corrosion:
Not irritant to eyes. No structural alerts were identified for eye irritation/corrosion using Nexus Derek and Toxtree (WoE, Kr.2).
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- 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 - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR study result
- GLP compliance:
- no
- 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
- Species:
- other: not applicable
- Strain:
- other: not applicable
- Details on test animals or test system and environmental conditions:
- not applicable
- 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
- 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.
- 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.
- Endpoint:
- skin irritation / corrosion, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 28 September 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
Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.
2. MODEL (incl. version number)
Derek KB 2020 1.0. Version 1.0. Last Modified Date: 26/03/2020 09:28:54. Certified by: Lhasa Limited, Leeds, Yorkshire, UK.
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 - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR study result
- GLP compliance:
- no
- Test system:
- other: QSAR study result
- 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
- Species:
- other: not applicable
- Strain:
- other: not applicable
- Details on test animals or test system and environmental conditions:
- Not applicable
- 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 result
- Irritation / corrosion parameter:
- other: QSAR result
- Remarks on result:
- no indication of irritation
- Other effects / acceptance of results:
- No structural alerts for skin irritation/corrosion were identified for 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol using Nexus Derek.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- DEREK Nexus evaluation showed no alerts for skin irritation/corrosion.
- Executive summary:
DEREK software ( Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.) 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 Derek. Additionally, the query structure does not contain any unclassified or misclassified features and is consequently predicted to be non-irritant in Derek.
DEREK Nexus evaluation showed no alerts for skin irritation/corrosion.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation, 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 applied: Eye irritation and 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
No QMRF is currently available for this endpoint from the model developer. Toxtree documentation discussing irritation profilers have been provided.
5. APPLICABILITY DOMAIN
See attached report
6. ADEQUACY OF THE RESULT
See attached report - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR study result
- GLP compliance:
- no
- Species:
- other: not applicable
- Strain:
- other: not applicable
- Details on test animals or tissues and environmental conditions:
- not applicable
- Vehicle:
- other: not applicable
- Controls:
- other: not applicable
- Amount / concentration applied:
- not applicable
- Duration of treatment / exposure:
- not applicable
- Observation period (in vivo):
- not applicable
- Duration of post- treatment incubation (in vitro):
- not applicable
- Number of animals or in vitro replicates:
- not applicable
- Details on study design:
- QSAR study
- Irritation parameter:
- other: QSAR result
- Remarks on result:
- no indication of irritation
- Other effects / acceptance of results:
- Toxtree evaluation showed no alerts for eye irritation/corrosion.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Toxtree evaluation showed no alerts for eye irritation/corrosion.
- Executive summary:
Toxtree v3.1.0 was used to predict the eye 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 eye irritation/corrosion in Toxtree.
Toxtree evaluation showed no alerts for eye irritation/corrosion.
- Endpoint:
- eye irritation, 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
Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.
2. MODEL (incl. version number)
Derek KB 2020 1.0. Version 1.0. Last Modified Date: 26/03/2020 09:28:54. Certified by: Lhasa Limited, Leeds, Yorkshire, UK.
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
No QMRF is currently available for this irritation endpoints from the model developer. See attached documentation from Nexus Derek discussing irritation endpoints.
5. APPLICABILITY DOMAIN
See attached report
6. ADEQUACY OF THE RESULT
See attached report - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR study result
- GLP compliance:
- no
- Species:
- other: not applicable
- Strain:
- other: not applicable
- Vehicle:
- other: not applicable
- Controls:
- other: not applicable
- Duration of treatment / exposure:
- not applicable
- Observation period (in vivo):
- not applicable
- Duration of post- treatment incubation (in vitro):
- not applicable
- Number of animals or in vitro replicates:
- not applicable
- Irritation parameter:
- other: QSAR result
- Remarks on result:
- no indication of irritation
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- DEREK Nexus evaluation showed no alerts for eye irritation/corrosion.
- Executive summary:
DEREK software ( Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.) was used to predict the eye 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 eye irritation/corrosion in Derek. Additionally, the query structure does not contain any unclassified or misclassified features and is consequently predicted to be non-irritating to eyes.
DEREK Nexus evaluation showed no alerts for eye irritation/corrosion.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation/corrosion
Two QSARs predictions are available and considered as WoE (Kr.2).
Based on the results from evaluations using two QSAR models (Nexus Derek and Toxtree), 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol was predicted as non-irritating to skin. No structural alerts were identified for skin irritation/corrosion using Nexus Derek and Toxtree.
Eye irritation/corrosion:
Two QSARs predictions are available and considered as WoE (Kr.2).
Based on the results from evaluations using two QSAR models (Nexus Derek and Toxtree), 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol was predicted as non-irritating to eyes. No structural alerts were identified for eye irritation/corrosion using Nexus Derek and Toxtree.
Justification for classification or non-classification
Harmonised classification:
The substance has no harmonized classification according to the Regulation (EC) No. 1272/2008 and to the GHS.
Self classification:
Skin irritation:
Based on the available data, the test substance is not classified as irritant to skin according to the Annex VI of the Regulation (EC) No. 1272/2008 (CLP) and the GHS.
Eye irritation:
Based on the available data, the test substance is not classified as irritant to eyes according to the Regulation (EC) No. 1272/2008 (CLP) and the GHS.
Respiratory irritation:
No data was available regarding respiratory irritation.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
