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EC number: 257-854-4 | CAS number: 52333-30-9
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:
- Experimental Starting Date - 20 April 2015; Experimental Completion Date - 23 April 2015; Study Completion Date: 01 March 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 - Shake Flask 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 21021/E TE Lot. 72
Appearance: Red powder - Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- 0.01
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not available
- Type:
- log Pow
- Partition coefficient:
- -2.02
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not available
- Conclusions:
- The partition coefficient n-octanol/water of the test item at 20 °C was determined to be: Pow = 0.00958, Log Pow = -2.02.
- Executive summary:
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 were used to performed the experiment. The partition coefficient n-octanol/water of FAT 21021 at 20 °C was determined to be: Pow = 0.00958, Log Pow = -2.02.
Reference
Preliminary Visual Estimation of the n-octanol solubility
100 mg of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles.
Appearance of the test mixtures
Amount of test item in mg |
Volume in ml |
Total volume in ml |
Stirring time |
Appearance of mixture |
1 |
10 |
10 |
60 min |
undissolved |
1 |
50 |
50 |
60 min |
undissolved |
1 |
100 |
100 |
60 min |
dissolved |
According to this preliminary test the solubility of the test item in n-octanol is about 10 mg/l (without correction of the purity).
Determination of the solubility in the n-Octanol phase: Flask Methods
Solubility of the test item –experiments A to D
Experiment |
A |
B |
C |
D(blank) |
Amount of test item (mg) |
500 |
500 |
500 |
-- |
Stirring time at 30°C (h) |
24 |
48 |
72 |
72 |
Aliquot of the flasks (ml) |
2.5 |
2.5 |
2.5 |
2.5 |
End volume (ml) |
5 |
5 |
5 |
5 |
Measured concentration (µg/ml) |
5.83 |
5.52 |
5.94 |
-- |
Solubility(mg/l) |
11.7 |
11.0 |
11.9 |
-- |
Concentrations of the standards for recheck.
Standard |
Measured concentration (µg/ml) |
% Recovery |
Standard 2 (c= 9.0 µg/ml) |
9.1 |
101.1 |
Standard 3 (c= 13.5 µg/ml) |
136 |
100.7 |
Standard 5 (c= 22.5 µg/ml) |
22.4 |
99.6 |
Recovery range from 99.6 % to 101.1 % 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: 11.5 mg/l.
By means of the flask method, the saturation concentration of the test item in waterwas determined to: 1.2 g/l
Calculation of the partition coefficient from the individual solubilities:
Pow= csoctanol/cswater |
Pow |
log Pow |
11.5 mg/l / 1200 mg/l |
0.00958 |
-2.02 |
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 were used to performed the experiment. The partition coefficient n-octanol/water of FAT 21021 at 20 °C was determined to be: Pow = 0.00958, Log Pow = -2.02.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.02
- at the temperature of:
- 20 °C
Additional information
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