Registration Dossier
Registration Dossier
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EC number: 264-840-1 | CAS number: 64354-92-3
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:
- accepted calculation method
- Justification for type of information:
- The partition coefficient has been determined according to a recognised QSAR method the EPA KOWWIN v1.68
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The partition coefficient has been determined according to a recognised QSAR method the EPA KOWWIN
- GLP compliance:
- no
- Remarks:
- not relevant for QSAR
- Other quality assurance:
- other: ot relevant for QSAR
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-(isodecyloxy)propiononitrile
- EC Number:
- 264-840-1
- EC Name:
- 3-(isodecyloxy)propiononitrile
- Cas Number:
- 64354-92-3
- Molecular formula:
- C13H25NO
- IUPAC Name:
- 3-(decylalkyl-(branched)oxy)-propiononitrile
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.9
- Remarks on result:
- other: calculation with EPI Suite 4.10 (WSKOW v1.42)
Applicant's summary and conclusion
- Conclusions:
- Due to experimental database of and calculation with EPI Suite 4.10(WSKOW v1.42) the octanol-water partition coefficient of the substance is logpow= 3.9
- Executive summary:
Due to experimental database of and calculation with EPI Suite 4.10(WSKOW v1.42) the octanol-water partition coefficient of the substance is logpow= 3.9
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