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EC number: 271-351-7 | CAS number: 68541-71-9
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:
- 2015
- 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:
- EU Method A.8 (Partition Coefficient)
- 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:
- Identification: FAT 20011/E TE Lot.: 1309023
Appearance: Blue powder - Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- 1.955
- Temp.:
- 20 °C
- Remarks on result:
- other: pH is not specified
- Type:
- log Pow
- Partition coefficient:
- 0.291
- Temp.:
- 20 °C
- Remarks on result:
- other: pH is not specified
- Conclusions:
- The partition coefficient n-octanol/water of FAT 20011/E at 20 °C was determined to be 0.291 (log Pow).
- Executive summary:
The purpose of the study was determination of the partition coefficient n-octanol / water of the test item FAT 20011/E according to the European Commission Regulation (EC) No.440/2008, A.8. partition coefficient n-octanol / water and OECD 107 and OECD 117, partition coefficient n-octanol/water. The shake flask method was used for this purpose. Based on the findings of the study, the partition coefficient n-octanol/water of FAT 20011/E TE at 20 °C was determined to be 0.291.
Reference
Preliminary Visual Estimation of the n-octanol solubility:
Different amounts of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles.
Amount of test item in mg |
Volume in ml |
Total volume in ml |
Stirring time |
Appearance of mixture |
10 |
1 |
1 |
60 min |
Undissolved |
10 |
2.5 |
2.5 |
60 min |
Dissolved |
10 |
5 |
5 |
60 min |
Dissolved |
10 |
10 |
10 |
60 min |
Dissolved |
According to this preliminary test the solubility of the test item in n-octanol is about 4 g/L (without correction of the purity).
Calculation of the partition coefficient log Pow from the preliminary tests
The partition coefficient P ow may be estimated from the saturation concentrations in n-octanol and water by the following equation:
P ow = cs octanol /cs water
s= saturation
With the data obtained from the experiments in chapter 3.5.1 (cs = 3.8 g/l) and in the preliminary test (water solubility: cs = 2.0 g/l) the partition coefficient was calculated as log Pow 0.28.
2) Determination of the solubility in the n-Octanol phase: Flask Method
Experiment |
A |
B |
C |
D(blank) |
Amount of test item (mg) |
100 |
100 |
100 |
-- |
Stirring time at 30°C (h) |
24 |
48 |
72 |
72 |
Aliquot of the flasks (ml) |
0.5/10/0.5 |
0.5 |
0.5 |
0.5 |
End volume (ml) |
10 |
10 |
10 |
10 |
Measured concentration (µg/ml) |
9.1 |
8.6 |
10.2 |
-- |
Solubility(g/l) |
3.6 |
3.4 |
4.1 |
-- |
The values of the measured concentrations of the test item in n-octanol is 3.7 g/L
3) Determination of the partition co-efficient
Experiment Ratio octanol/water |
A (Ratio 1:1) |
B (Ratio 1:2) |
C (Ratio 2:1) |
Stock solution in mg/100 ml |
16.9 |
16.9 |
16.9 |
Stock solution in ml |
4 |
8 |
4 |
Flask concentration in µg |
676 |
1352 |
676 |
Water volume in ml |
4 |
8 |
4 |
Aliquot (water phase) |
1/10 |
1/10 |
1/10 |
Aliquot (octanol phase) |
0.525/10 |
0.525/10 |
0.525/10 |
Measured concentration n-octanol phase (µg/ml) |
5.5 |
9.5 |
2.8 |
Measured concentration water phase (µg/ml) |
5.1 |
5.3 |
5.0 |
Measured concentration n-octanol phase (µg) |
419 |
723 |
426 |
Measured concentration water phase (µg) |
204 |
424 |
200 |
POW |
2.053 |
1.705 |
2.130 |
Log POW |
0.312 |
0.232 |
0.328 |
Description of key information
The purpose of the study was determination of the partition coefficient n-octanol / water of the test item according to the European Commission Regulation (EC) No.440/2008, A.8. partition coefficient n-octanol / water and OECD 107 and OECD 117, partition coefficient n-octanol/water. The shake flask method was used for this purpose. Based on the findings of the study, the partition coefficient n-octanol/water of FAT 20011/E TE at 20°C was determined to be 0.291.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.291
- at the temperature of:
- 20 °C
Additional information
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