Registration Dossier
Registration Dossier
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EC number: 236-425-5 | CAS number: 13361-34-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: (Q)SAR program used (these "Results are calculated with KOWWIN (LOG KOW©) Program, Version 1.65, Syracuse Research Corporation, Merrill Lane, Syracuse, New York, 13210, U. S. A., 2000.")
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 000
- Report date:
- 2000
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- yes
- Remarks:
- QSAR-method
- Principles of method if other than guideline:
- Results are calculated with KOWWIN (LOG KOW©) Program, Version 1.65, Syracuse Research Corporation, Merrill Lane, Syracuse, New York, 13210,
U. S. A., 2000. - GLP compliance:
- no
- Type of method:
- other: QSAR-method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-ethylhexyl cyanoacetate
- EC Number:
- 236-425-5
- EC Name:
- 2-ethylhexyl cyanoacetate
- Cas Number:
- 13361-34-7
- Molecular formula:
- C11H19NO2
- IUPAC Name:
- 2-ethylhexyl 2-cyanoacetate
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.89
- Temp.:
- 25 °C
- Remarks on result:
- other: (Q)SAR calculation with EPIWIN
Applicant's summary and conclusion
- Conclusions:
- (Q)SAR calculated result 2.89@25°C
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