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EC number: 944-623-4 | CAS number: -
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:
- Experimental Starting Date: 01/19/2016 - Experimental Completion Date: 01/29/2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Test Item: FAT 92504/C
TE Lot: BOP 01-15 BS-0025995500 - Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- 12 691
- Temp.:
- 20 °C
- Remarks on result:
- other: pH data not available in the report
- Type:
- log Pow
- Partition coefficient:
- 4.1
- Temp.:
- 20 °C
- Remarks on result:
- other: pH data not available in the report
- Conclusions:
- The n-octanol/water partition coefficient of FAT 92504/C TE was determined to be 4.10 (log Pow).
- Executive summary:
The n-octanol/water partition coefficient of FAT 92504/C was assessed in a study conducted according to EU Method A.8 and OECD Guidelines 107 & 117. Flask method was used for the purpose. Based on the individual solubility of the test substance in n-otanol (determined to 3.25 g/l) and water (0.26 mg/l), the n-octanol/water partition coefficient was determined to be 4.10 (log Pow).
Reference
Preliminary Visual Estimation of the n-Octanol Solubility:
10 mg of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles. According to this preliminary test the solubility of the test item in n-octanol is about 3.3 g/l (without correction of the purity).
Table 2: Appearance of the test mixtures
Amount of test item in mg |
Volume in ml |
Total volume in ml |
Stirring time |
Appearance of mixture |
100 |
10 |
10 |
60 min |
undissolved |
100 |
20 |
30 |
60 min |
dissolved |
Calculation of the partition coefficient log Pow from the preliminary tests:
The partition coefficient Pow may be estimated from the saturation concentrations in n-octanol and water by the following equation:
Pow = csoctanol / cswater
s: saturation
With the data obtained from the experiments, (csoctanol ~ 3,3 g/l) and the preliminary test (cswater = 0,26 mg/l), the partition coefficient was calculated as log Pow >4.1.
Due to the fact that the estimated log Pow is above 4, the partition coefficient n-octanol/water has to be estimated from the individual solubilities in water and n-octanol.
Determination of the solubility in the n-Octanol phase: Flask Method:
Table 3: Solubility of the test item – experiments A to D
Experiment |
A |
B |
C |
D (blank) |
Amount of test item (mg) |
1000 |
1000 |
1000 |
-- |
Stirring time at 30 °C (h) |
24 |
48 |
72 |
72 |
Measured concentration (mg/l) |
34.3 |
32.3 |
31.0 |
-- |
Dilution |
0.1ml/10ml |
0.1ml/10ml |
0.1ml/10ml |
-- |
n-Octanol solubility (g/l) |
3.43 |
3.23 |
3.10 |
-- |
Average 3 experiments: 3.25 g/l.
The recovery ranged from 98.6 % to 102.8 % indicates a sufficient accuracy of the analytical method.
Calculation of the partition coefficient log Pow from the individual solubilities:
By means of the flask method, the saturation concentration of the test item in n-octanol was determined to: csoctanol = 3.25 g/l
By means of the flask method, the saturation concentration of the test item in water was determined to: cswater = 0.26 mg/l
Final results:
The partition coefficent n-octanol/water of the test item at 20 °C, from the individual solubilities in water and n-octanol, was determined to:
Pow = 12691
log Pow = 4.10
Description of key information
The n-octanol/water partition coefficient of FAT 92504/C was assessed in a study conducted according to EU Method A.8 and OECD Guidelines 107 & 117. Flask method was used for the purpose. Based on the individual solubility of the test substance in n-otanol (determined to 3.25 g/l) and water (0.26 mg/l), the n-octanol/water partition coefficient was determined to be 4.10 (log Pow).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.1
- at the temperature of:
- 20 °C
Additional information
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