Registration Dossier
Registration Dossier
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EC number: 844-232-8 | CAS number: 102731-54-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- from 2020-02-25 to 2020-02-27
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.33
- Temp.:
- 40 °C
- pH:
- 6.66
- Conclusions:
- The log Pow was found to be 3.33 at 40 °C and a pH of 6.66.
- Executive summary:
A study was conducted according to OECD Guideline 117. Since elution from a C18 column was achieved using methanol / water within the retention time of reference items given in the guidelines, the HPLC method was considered to be appropriate for the test item. Seven reference items, recommended by the guideline, which have known log Pow-values in the range of 0.9 to 4 were injected, thereof six were used for the calculation. On this basis the log Pow was found to be 3.33 at 40 °C and a pH of 6.66.
Reference
A linear regression was performed on the values of the logarithm of the capacity factors plotted against the log Pow values of the reference items. The R² fit of the calibration curve used was 0.9865. The deviations of calculated log Pow-values from actual log Pow-values were 8.8 % at maximum. This reflects the linear correlation between the logarithms of the capacity factors of the HPLC.
The test item showed a chromatographic profile consisting of one peak. The evaluation was based on this peak.
Description of key information
The log Pow was found to be 3.33 at 40 °C and a pH of 6.66.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.33
- at the temperature of:
- 40 °C
Additional information
A study was conducted according to OECD Guideline 117. Since elution from a C18 column was achieved using methanol / water within the retention time of reference items given in the guidelines, the HPLC method was considered to be appropriate for the test item. Seven reference items, recommended by the guideline, which have known log Pow-values in the range of 0.9 to 4 were injected, thereof six were used for the calculation. On this basis the log Pow was found to be 3.33 at 40 °C and a pH of 6.66.
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