Registration Dossier
Registration Dossier
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EC number: 261-629-6 | CAS number: 59151-19-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 26 January to 29 February 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- rel-(1R,6S)-ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-enecarboxylate
- Molecular formula:
- C15H24O3
- IUPAC Name:
- rel-(1R,6S)-ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-enecarboxylate
- Reference substance name:
- rel-(1R,6R)-ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-enecarboxylate
- Molecular formula:
- C15H24O3
- IUPAC Name:
- rel-(1R,6R)-ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-enecarboxylate
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Name of test material (as stated in the report): Calyxol
- Batch No. VE00412958
- Expiration date of the lot/batch: 15.11.2017
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.4
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 3.3
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- The determination was performed at 35°C (column temperature), however the values can be considered to represent the values at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Kow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Applicant's summary and conclusion
- Conclusions:
- In the conditions of the test, the chromatograms of Calyxol show two peaks at average retention time of 5.55 minutes (54,6% relative peak area), corresponding to a partition coefficient (log value) of 3.3 and 5.73 minutes (45.4% relative peak area), corresponding to a partition coefficient (log value) of 3.4.
Therefore: Partition coefficient n-octanol/water of Calyxol : Log Pow = 3.3 - 3.4. - Executive summary:
The Partition Coefficient n-octanol/water of Calyxol was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD guideline No. 117.
The result is: Partition coefficient n-octanol/water of Calyxol: Log Pow = 3.3 - 3.4.
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