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EC number: 296-229-0 | CAS number: 92368-90-6
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:
- 2016-01-26
- 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:
- yes
- Remarks:
- Due to technical reasons, standards were injected separately instead of simultaneously.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- 2008
- Deviations:
- yes
- Remarks:
- Due to technical reasons, standards were injected separately instead of simultaneously.
- 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:
- 4
- Temp.:
- 23.7 °C
- Remarks on result:
- other: No pH value was measured for this mobile phase, because it is neutral. Furthermore the test item did not have functional groups with influence on the pH value of the mobile phase.
- Conclusions:
- The partition coefficient log Pow of the test substance was determined to be log Pow = 4.00 at 23.7 °C.
- Executive summary:
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance. Using the HPLC method partition coefficient Pow was determined in two individual measurements. Two individual log Pow values for the test item were derived under consideration of the first and second calibration. Finally, a mean value was calculated from these individual log Pow values. The partition coefficient log Pow of the test substance was determined to be log Pow = 4.00 at 23.7 °C. All validation criteria were fulfilled.
Reference
Test substance |
tR [min] |
k |
Log k |
Log Pow |
|
1st calibration |
2nd calibration |
||||
9.153 |
15.3 |
1.18 |
4.00 ± 0.05 3.89 to 4.12 (95 % Cl) |
4.00 ± 0.05 3.88 to 4.12 (95 % Cl) |
|
9.158 |
15.3 |
1.18 |
|||
Mean |
9.156 |
15.3 |
1.18 |
4.00 |
|
Description of key information
The partition coefficient log Pow of the test substance was determined to be log Pow = 4.00 at 23.7 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4
- at the temperature of:
- 23.7 °C
Additional information
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance.Using the HPLC method partition coefficient Pow was determined in two individual measurements with a test concentration of 50 mg/L. The measurement was done at 20-25 ± 1 °C. A mean value was calculated from the individual log Pow values. The partition coefficient log Pow of the test substance was determined to be log Pow = 4.00 at 23.7 °C.
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