Registration Dossier
Registration Dossier
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EC number: 279-815-0 | CAS number: 81782-77-6
Genetic toxicity: in vivo
Administrative data
- Endpoint:
- in vivo mammalian somatic cell study: cytogenicity / erythrocyte micronucleus
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- 1. SOFTWARE
OECD [Q]SAR Toolbox
2. MODEL (incl. version number)
QSAR Toolbox 3.4.0.17
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCCC(O)C(C)=CCC
CAS 81782-77-6
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
In vivo micronucleus assay. OECD 474 using rat and mouse data.
The target chemical FALLS within applicability domain
The prediction is based on 11 neighbours' values, 11 of them equal to prediction.
Prediction confidence is measured by the p-value = 5.65E-06 (very strong confidence)
5. APPLICABILITY DOMAIN
Standard in vitro genotoxicty alerts.
Based on simple aldehyde alert by in vivo mutagenicity alerts by ISS.
DNA binding by OECD
Must contain carbon and oxygen
Structural similarity >20%
6. ADEQUACY OF THE RESULT
The prediction is based on 11 neighbours' values, 11 of them equal to prediction.
Prediction confidence is measured by the p-value = 5.65E-06 (very strong confidence)
Negative in the in vivo micronucleus assay.
See attached Prediction.
Data source
Materials and methods
Results and discussion
Applicant's summary and conclusion
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