Registration Dossier
Registration Dossier
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EC number: 202-711-3 | CAS number: 98-89-5
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- genetic toxicity in vitro
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The prediction was performed by a valid QSAR model and appears to be reliable as the substance is included in the applicability domain of the model.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- publication
- Title:
- Mutagenicity model (CAESAR) (version 2.1.10)
- Author:
- Laboratory of Environmental Chemistry and Toxicology of Mario Negri Institute of Pharmacological Research.
- Bibliographic source:
- VegaNIC v.1.0.6
- Report date:
- 2013
Materials and methods
Test guideline
- Guideline:
- other: REACH guidance on QSARs R6, May 2008
- Principles of method if other than guideline:
- General model for estimating the mutagenicity.
Test material
- Reference substance name:
- Cyclohexanecarboxylic acid
- EC Number:
- 202-711-3
- EC Name:
- Cyclohexanecarboxylic acid
- Cas Number:
- 98-89-5
- Molecular formula:
- C7H12O2
- IUPAC Name:
- cyclohexanecarboxylic acid
- Details on test material:
- SMILE:OC(=O)C1CCCCC1
InChI=1/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
Constituent 1
Results and discussion
Test results
- Genotoxicity:
- negative
- Additional information on results:
- Model assessment:
the prediction is considered as reliable considering the following issues:
- similar compounds with known experimental value in the training set have been found;
- the similar molecules found in the training set have experimental values that agree with the predicted value;
- the accuracy of prediction for similar molecules found in the training set is good;
- all atom centered fragment of the compound have been found in the compounds of the training set;
-descriptors for this compound have values inside the descriptor range of the compounds of the training set;
- no structural alert, that could be associated with genotoxic effects, has been found in the structure of the molecule.
Details are provided in attachment on the section: "attached full study report".
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information):
negative
According to this prediction, the substance should not have genotoxic activity.
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