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EC number: - | 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:
- 22 February 2021 to 05 March 2021
- 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:
- not specified
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: FAT 40879/B TE
Lot: BOP 05-20
Appearance: Dark red powder - Analytical method:
- other: UV-VIS using equipment UV-VIS PerkinElmer Lambda 25
- Type:
- Pow
- Partition coefficient:
- < 0
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not specified
- Type:
- log Pow
- Partition coefficient:
- < -5.76
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not specified
- Conclusions:
- The partition coefficient n-octanol/water of FAT 40879 at 20 °C, calculated from the individual solubility in water and n-octanol, was determined to Pow <0.0000017 and log Pow <-5.76, respectively.
- Executive summary:
The partition coefficient n-octanol/water of FAT 40879 at 20 °C was carried out according to OECD guideline 107 using flask method. A preliminary test was carried out to determine the solubility of the test item in n-octanol which was found less than 10 mg/l (without correction for the purity). By means of the flask method, the saturation concentration of the test item in n-octanol was determined to octanol < 0.0009 g/l while the saturation concentration of the test item in water was determined to water 519.0 g/l. Based on the test results, the partition coefficient n-octanol/water of FAT 40879 at 20 °C, calculated from the individual solubility in water and n-octanol, was determined to Pow <0.0000017 and log Pow <-5.76, respectively.
Reference
According to this preliminary test the solubility of the test item in n-octanol is less than 10 mg/l (without correction for 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:
Pow= csoctanol /cswater
s= saturation
With the data obtained from the experiments in chapter 3.5.1 (Cs= <10 mg/l) and in the preliminary test (water solubility: Cs = 519 mg/l) the partition coefficient was calculated.
Since the estimated log Pow is smaller than -4.7, which is beyond the applicable range between -2 and 4 of OECD TG 107, the partition coefficient n-octanol/water is estimated from the individual solubilities in water and n-octanol.
Determination of the solubility in the n-Octanol phase: Flask Method
Experiment | A | B | C | D (blank) |
Amount of test item (mg) | 500 | 500 | 500 | - |
Stirring time at 30 °C (h) | 24 | 48 | 72 | 72 |
Measured concentration (mg/l) | n.d. | n.d. | n.d. | - |
Dilution | - | - | - | - |
n-Octanol solubility (mg/l) | <0.9 | <0.9 | <0.9 | - |
Average experiments A to C: <0.9 mg/l.
The recovery range of 98.3 % indicates a sufficient accuracy of the analytical method.
Description of key information
The partition coefficient n-octanol/water of FAT 40879/B at 20 °C was carried out according to OECD guideline 107 using flask method. A preliminary test was carried out to determine the solubility of the test item in n-octanol which was found less than 10 mg/l (without correction for the purity). By means of the flask method, the saturation concentration of the test item in n-octanol was determined to octanol <0.0009 g/l while the saturation concentration of the test item in water was determined to water 519.0 g/l. Based on the test results, the partition coefficient n-octanol/water of FAT 40879/B at 20 °C, calculated from the individual solubility in water and n-octanol, was determined to Pow <0.0000017 and log Pow <-5.76, respectively.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -5.76
- at the temperature of:
- 20 °C
Additional information
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