Registration Dossier
Registration Dossier
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EC number: 201-288-2 | CAS number: 80-53-5
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- 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
- Remarks:
- DEREK is a validated (Q)SAR software, widely used to predict genotoxicity properties.
- 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
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:
- Software used: Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.
- GLP compliance:
- no
- Type of assay:
- other: Derek Nexus evaluation for mutagenicity
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
Method
- Target gene:
- Not applicable
Species / strain
- Species / strain / cell type:
- bacteria, other: Salmonella typhimurium and Escherichia coli
- Additional strain / cell type characteristics:
- not applicable
- Metabolic activation:
- not applicable
- Test concentrations with justification for top dose:
- Not applicable
- Vehicle / solvent:
- Not applicable
- Details on test system and experimental conditions:
- Not applicable
- Rationale for test conditions:
- Not applicable
- Evaluation criteria:
- Not applicable
- Statistics:
- Not applicable
Results and discussion
Test results
- Key result
- Species / strain:
- bacteria, other: Salmonella typhimurium and Escherichia coli
- Metabolic activation:
- not applicable
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- other: not applicable
- Vehicle controls validity:
- not applicable
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- not applicable
- Additional information on results:
- Mutagenicity in vitro in bacterium is INACTIVE: No misclassified or unclassified features
Mutagenicity in vitro in Escherichia coli is INACTIVE: No misclassified or unclassified features
Mutagenicity in vitro in Salmonella typhimurium is INACTIVE: No misclassified or unclassified features
Details
The query structure does not match any structural alerts or examples for (bacterial in vitro) mutagenicity in Derek. Additionally, the query structure does not contain any unclassified or misclassified features and is consequently predicted to be inactive in the bacterial in vitro (Ames) mutagenicity test.
Any other information on results incl. tables
None
Applicant's summary and conclusion
- Conclusions:
- DEREK Nexus evaluation showed no alerts for mutagenicity.
- Executive summary:
DEREK software ( Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.) was used to predict the mutagenicity of 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol.
The query structure does not match any structural alerts or examples for (bacterial in vitro) mutagenicity in Derek. Additionally, the query structure does not contain any unclassified or misclassified features and is consequently predicted to be inactive in the bacterial in vitro (Ames) mutagenicity test.
DEREK Nexus evaluation showed no alerts for mutagenicity.
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