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EC number: 482-280-8 | 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:
- 13 April 2018 - 24 May 2018
- 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:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- 176
- Temp.:
- 21 °C
- pH:
- >= 6.7 - <= 6.9
- Details on results:
- The preliminary test estimated the partition coefficient to be 178 at 21.0 ± 0.5 °C, log Pow of 2.25 with a total phase recovery of 101%.
The shake-flask method was chosen over the HPLC method as the test item contained fluorine atoms. As the reference items used for the HPLC method do not have an equivalent number of fluorine atoms to calibrate against, it was uncertain how accurate a result would be.
In the definitive test, the peak areas obtained for the standard, stock and sample solutions were determined and used to obtain the concentration of test item in each of the aqueous and organic samples. Using these analysed concentrations, the partition coefficient was determined for each sample flask and is presented below. Due to an interfering peak in the aqueous matrix blank, the area for this peak was subtracted from the area of the standards and samples prior to calculation of the sample concentrations. - Conclusions:
- The partition coefficient of the test item was determined to be 176 at 21.0 ± 0.5 °C and a Log10Pow of 2.23.
- Executive summary:
The octanol-partition coefficient of the test item was determined using the flask method designed to be compatible with EC Method A.8 and OECD Method 107. The partition coefficient of the test item was determined to be 176 at 21.0 ± 0.5 °C and a Log10Pow of 2.23.
Reference
Table 1: Determination of Partition Coefficient
Flask |
Organic/Aqueous Volume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:2 |
161 |
2.21 |
134 |
2 |
106 |
2.03 |
||
3 |
1:4 |
179 |
2.25 |
174 |
4 |
168 |
2.23 |
||
5 |
1:8 |
240 |
2.38 |
220 |
6 |
199 |
2.30 |
Description of key information
The partition coefficient of the test item was determined to be 176 at 21.0 ± 0.5 °C and a Log10Pow of 2.23.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.23
- at the temperature of:
- 21 °C
Additional information
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