Registration Dossier
Registration Dossier
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EC number: 692-111-1 | CAS number: 14507-43-8
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation
- Remarks:
- other: Structural alerts
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- Unnamed
- Year:
- 2 015
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May/July2008
- GLP compliance:
- not specified
- Type of study:
- not specified
Test material
- Reference substance name:
- (3S)-2-Ethyl-3-hydroxy-2-[(2E)-2-(6-methoxy-3,4-dihydronaphtalen-1(2H)-ylidene)ethyl]cyclopentanone
- EC Number:
- 692-111-1
- Cas Number:
- 14507-43-8
- Molecular formula:
- C20H26O3
- IUPAC Name:
- (3S)-2-Ethyl-3-hydroxy-2-[(2E)-2-(6-methoxy-3,4-dihydronaphtalen-1(2H)-ylidene)ethyl]cyclopentanone
- Test material form:
- solid: crystalline
- Details on test material:
- Test item: ethyl-secoolonCas No.: 14507-43-8Physical state: yellowish whiteStorage: 15-30 °C, protected from light and wet
Constituent 1
Results and discussion
In vivo (LLNA)
Results
- Remarks on result:
- no indication of skin sensitisation based on QSAR/QSPR prediction
Any other information on results incl. tables
| Software | Method | Endpoint | Alert | Predicted value |
| ChemProp | Enoch et al | Skin Sensitisation | No Structural Alerts were found. | Not active |
| Toxtree | Skin sensitisation reactivity domains | Skin Sensitisation | No Structural Alerts were found. | No alerts |
Applicant's summary and conclusion
- Interpretation of results:
- not sensitising
- Remarks:
- Criteria used for interpretation of results: not specified
- Conclusions:
- According to (Q)SAR modells: Toxtree, ChemProp, the predicted values indicated that ethyl-secoolon is not sensitiser.
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