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EC number: 236-502-3 | CAS number: 13410-58-7
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:
- 09 April 2018
- 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
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - The infrared (IR) spectrum of the test material measured at this laboratory was confirmed to be identical to that provided by the sponsor.
- In addition, the IR spectrum of the test material after the completion of the experiment was the same as that before the start of the experiment, and it indicated that the test material was stable under the storage conditions. - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not specified
- Details on results:
- - No adverse effects on the reliability of this test were noted.
- It is judged that all of the test results are valid because the difference between two measured values of each peak was within ± 0.1.
- The three peaks are likely to be three isomers of the test material. The highest of these (log Pow = 4.0) will be reported as the key value for safety assessment. - Conclusions:
- Under the conditions of this study the log Pow of the test material was determined to be 4.0 at 25 °C.
- Executive summary:
The partition coefficient of the test material was investigated in accordance with the standardised guideline OECD 117, under GLP conditions.
The High Performance Liquid Chromatography (HPLC) method was used.
During the study, the test material solution was injected twice to the test equipment and the retention time of the test material was measured. Three peaks were detected from the test material solution, and those peaks were targeted for analysis. Each peak was named as Peak 1 to Peak 3 in order of the retention time. The solvent blank was injected once to the test equipment.
The average log Pow values were 3.6, 3.8 and 4.0 for Peaks 1, 2 and 3, respectively.
The three peaks are likely to be three isomers of the test material. The highest of these (log Pow = 4.0) will be reported as the key value for safety assessment.
Under the conditions of this study the log Pow of the test material was determined to be 4.0 at 25 °C.
Reference
Table 1: Test Results
Peak No. |
log Pow |
||
Measured Value |
Average |
||
1 |
3.6 |
3.6 |
3.6 |
2 |
3.8 |
3.8 |
3.8 |
3 |
4.0 |
4.0 |
4.0 |
log Pow = 4.228 x lok k + 2.559
r = 0.995
Description of key information
Under the conditions of the study the log Pow of the test material was determined to be 4.0 at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4
- at the temperature of:
- 25 °C
Additional information
The partition coefficient of the test material was investigated in accordance with the standardised guideline OECD 117, under GLP conditions.
The High Performance Liquid Chromatography (HPLC) method was used. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
During the study, the test material solution was injected twice to the test equipment and the retention time of the test material was measured. Three peaks were detected from the test material solution, and those peaks were targeted for analysis. Each peak was named as Peak 1 to Peak 3 in order of the retention time. The solvent blank was injected once to the test equipment.
The average log Pow values were 3.6, 3.8 and 4.0 for Peaks 1, 2 and 3, respectively.
The three peaks are likely to be three isomers of the test material. The highest of these (log Pow = 4.0) will be reported as the key value for safety assessment.
Under the conditions of this study the log Pow of the test material was determined to be 4.0 at 25°C.
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