Registration Dossier
Registration Dossier
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EC number: 907-284-3 | CAS number: -
Eye irritation
Administrative data
- Endpoint:
- eye irritation, other
- Remarks:
- QSAR prediction
- 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 405)
- Principles of method if other than guideline:
- The purpose of the in silico study was to predict the Acute Eye Irritation/Corrosion potential of the test item - multiconstituent containing Methyl Linolenate, Methyl Linoleate and Methyl Oleate. This prediction was performed using the following QSAR models:
* Nexus DEREK v6.0.1
* OECD QSAR Toolbox v4.3 (profiling results)
The final consensus result for Acute Eye Irritation/Corrosion was derived by applying a consensus method on the reliable results derived for individual models.
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
Test animals / tissue source
- Species:
- other: Not specified
- Strain:
- not specified
Results and discussion
In vitro
Results
- Remarks on result:
- other: Non-irritant to the eye
- Remarks:
- QSAR predicted value
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- According to OECD QSAR Toolbox v4.2 and Nexus DEREK, the mixture of Methyl Linolenate, Methyl linoleate and Methyl oleate is predicted as a non-irritant to the eye.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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