Registration Dossier
Registration Dossier
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EC number: 225-767-0 | CAS number: 5063-03-6
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is shown in the attached document as well (QPRF). QSAR model reporting format is shown in the QMRF file attached.
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- VEGA in silico platform
- Year:
- 2 022
- Bibliographic source:
- Mutagenicity (Ames test) model (SarPy/IRFMN) 1.0.8
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
- Principles of method if other than guideline:
- T. Ferrari, D. Cattaneo, G. Gini, N. Golbamaki Bakhtyari, A. Manganaro, E. Benfenati, “Automatic knowledge extraction from chemical structures: the case of mutagenicity prediction”, SAR and QSAR in Environmental Research (2013), vol. 24 issue 5, 365-83.
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- Methyl (8,9,10-trinorborn-5-en-2-yl) ketone
- EC Number:
- 225-767-0
- EC Name:
- Methyl (8,9,10-trinorborn-5-en-2-yl) ketone
- Cas Number:
- 5063-03-6
- Molecular formula:
- C9H12O
- IUPAC Name:
- 1-{bicyclo[2.2.1]hept-5-en-2-yl}ethan-1-one
Constituent 1
- Specific details on test material used for the study:
- O=C(C)C2CC1C=CC2(C1)
Results and discussion
Test results
- Genotoxicity:
- negative
- Remarks on result:
- no mutagenic potential (based on QSAR/QSPR prediction)
Any other information on results incl. tables
The prediction was deemed to be reliable on the basis of the parameters listed above. The molecule falls into the applicability domain of the model.
Applicant's summary and conclusion
- Conclusions:
- The molecule was predicted to be non-mutagen.
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