Registration Dossier
Registration Dossier
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EC number: 619-508-4 | CAS number: 381209-09-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- November 15, 2010 - December 21, 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: This study has been performed according to OECD and/or EC guidelines and according to GLP principles.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
- EC Number:
- 619-508-4
- Cas Number:
- 381209-09-2
- Molecular formula:
- C13 H24 O2
- IUPAC Name:
- 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
- Details on test material:
- - Name of test material (as cited in study report): CAT-Acid
- Stability under test conditions: stable
- Storage condition of test material: at room temperature in the dark
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 4.2
- Temp.:
- 25 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 4.5
- Temp.:
- 25 °C
- pH:
- 2
- Details on results:
- Calculations:
- The log Kow was calculated to be 4.6 using the Rekker calculation method
- The pKa was calculated to be 5.2
HPLC:
- The value of logPow obtained from duplicate measurements was within +/- 0.1 log units
- In the chromatogram of the test solution, one test substance peak was observed
Applicant's summary and conclusion
- Conclusions:
- The HPLC method was applied for the determination of the partition coefficient (Pow) of the substance. The logPow values of the substance at neutral pH and pH 2 were 4.2 and 4.5, respectively.
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