Registration Dossier
Registration Dossier
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EC number: 609-105-1 | CAS number: 35249-62-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- The determination was carried out using an HPLC Method designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-(2-bromo-4,5-dimethoxyphenyl)propanenitrile
- EC Number:
- 609-105-1
- Cas Number:
- 35249-62-8
- Molecular formula:
- C11H12BrNO2
- IUPAC Name:
- 3-(2-bromo-4,5-dimethoxyphenyl)propanenitrile
- Test material form:
- solid
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 1.98
- Temp.:
- 30 °C
- pH:
- ca. 7
Applicant's summary and conclusion
- Conclusions:
- In the absence of any relevant dissociating functional groups, no specific manipulation of the
mobile phase pH was required to ensure that the test item was analyzed in an unionized,
molecular form. Therefore the determination was performed at an approximately neutral pH.
The partition coefficient of the test item has been determined to be 95.8, log10 Pow 1.98.
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