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Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- other: ASTM E 1147 M
- Principles of method if other than guideline:
- The partition coefficient of the test substance was calculated as a ratio of the n-octanol solubility and water solubility.
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: QTOF LCMS
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0
- Temp.:
- 20 °C
- Remarks on result:
- other: No information on pH
- Details on results:
- The sample was dissolved in distilled water and the partition coefficient was tested by HPLC, ASTM E 1147 M. The partition coefficient (Log Kow) of the sample was tested to be <0. It should be noted that water has a Log Kow of -1.4, and the instrument operational range is 0 – 8.
- Conclusions:
- Under the study conditions, partition coefficient (Log Kow) of the test substance was determined to be -5.87 at 20ºC .
- Executive summary:
A study was conducted to determine the partition coefficient of the substance, according to the ASTM methods E 1148 M and E 1147 M. Under the study conditions, the partition coefficient (Log Kow) of the test substance was determined to be -5.87 at 20ºC (Jordi, 2019).
Reference
n-Octanol Solubility:
To further evaluate the Log Kow, n-octanol solubility measurements were performed per ASTM E 1148M. Analysis for Time Point 1 was performed on the 1st day, and analysis for Time Point 2 was performed on the 2nd day. The analysis results are presented in the below table.
Sample ID |
Time Point |
Solubility (mg/kg) |
Solubility (mg/mL) |
TR 063A, Lot #252PE |
1 |
464 |
0.385 |
2 |
468 |
0.388 |
The n-octanol solubility of the test could be calculated as the average of the above results, i.e. 0.387 mg/L.
Therefore, the partition coefficient of the test substance was calculated to be as follows:
Kow = n-octanol solubility/water solubility = 1.63E-6. Therefore log Kow = -5.87
Description of key information
A study was conducted to determine the partition coefficient of the substance according to ASTM methods E 1148 M and E 1147 M (Jordi, 2019).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -5.87
- at the temperature of:
- 20 °C
Additional information
The partition coefficient was determined as a ratio of the n-octanol and water solubility.
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