Registration Dossier
Registration Dossier
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EC number: 907-284-3 | CAS number: -
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2019
- 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
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6 (QSPR model adapted specifically from OECD test guideline 471)
- Principles of method if other than guideline:
- The purpose of the in silico study was to predict the Ames Mutagenicity of the test item – multiconstituent containing Methyl Linolenate, Methyl linoleate and Methyl oleate. This prediction was performed using the following QSAR models:
* OECD QSAR Toolbox v4.3 (profiling results)
* Danish QSAR Database
The final consensus result for Ames mutagenicity was derived by applying a consensus method on the reliable results derived for individual models. - Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- Methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
- EC Number:
- 206-102-3
- EC Name:
- Methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
- Cas Number:
- 301-00-8
- Molecular formula:
- C19H32O2
- IUPAC Name:
- methyl octadeca-9,12,15-trienoate
- Reference substance name:
- Methyl linoleate
- EC Number:
- 203-993-0
- EC Name:
- Methyl linoleate
- Cas Number:
- 112-63-0
- Molecular formula:
- C19H34O2
- IUPAC Name:
- methyl octadeca-9,12-dienoate
- Reference substance name:
- Methyl oleate
- EC Number:
- 203-992-5
- EC Name:
- Methyl oleate
- Cas Number:
- 112-62-9
- Molecular formula:
- C19H36O2
- IUPAC Name:
- methyl (Z)-octadec-9-enoate
- Reference substance name:
- Methyl palmitate
- EC Number:
- 203-966-3
- EC Name:
- Methyl palmitate
- Cas Number:
- 112-39-0
- Molecular formula:
- C17H34O2
- IUPAC Name:
- methyl palmitate
- Test material form:
- liquid
Constituent 1
Constituent 2
Constituent 3
impurity 1
- Specific details on test material used for the study:
- SMILES:
* Methyl Linolenate: O=C(OC)CCCCCCCC=CCC=CCC=CCC
* Methyl Linoleate: O=C(OC)CCCCCCCC=CCC=CCCCCC
* Methyl oleate: O=C(OC)CCCCCCCC=CCCCCCCCC
Method
Species / strain
- Species / strain / cell type:
- S. typhimurium, other: Not specified
- Remarks:
- QSAR Database
Results and discussion
Test results
- Key result
- Species / strain:
- S. typhimurium, other: Not specified
- Genotoxicity:
- negative
- Remarks:
- QSAR predicted value
- Remarks on result:
- no mutagenic potential (based on QSAR/QSPR prediction)
Applicant's summary and conclusion
- Conclusions:
- According to OECD QSAR Toolbox v4.3, Nexus DEREK and Danish QSAR Database, the mixture of Methyl Linolenate, Methyl linoleate and Methyl oleate is predicted as non-mutagenic for the Ames Mutagenicity test.
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