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EC number: 219-233-6 | CAS number: 2390-63-8
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:
- 10 January 2017 to 20 March 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- 35
- Temp.:
- 20 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.5
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- The analysed concentration of the stock solution was 0.111 g/L. Based on this the nominal quantity of the test material in the test samples was 0.222 mg. The recoveries were determined according to this value.
The log Pow values were within the criterion range of ± 0.3 log units. Based on this, the Pow and log Pow of the test material is given as the mean value of all measurements.
No test material was detected in the pre-treated samples from the blank mixture. - Conclusions:
- Under the conditions of this study, the Pow and log Pow of the test material were 3.5 x 10^1 and 1.5, respectively, at 20 °C.
- Executive summary:
The partition coefficient of the test material was determined in accordance with the standardised guidelines OECD 107, EU Method A.8 and US EPA OPPTS 830.7550 under GLP conditions using the shake flask method.
A stock solution of the test material was prepared in 0.1 M phosphate buffer pH 7 saturated with n-octanol at a nominal concentration of 112 mg/L. Duplicate test samples were prepared at ratios of 1:1, 1:2 and 2:1 v/v of n-octanol:water. The test samples were shaken for 30 minutes. Phase separation was obtained by centrifugation at 3500 g and 20 °C for 5 minutes. The solutions were analysed by HPLC. The test was performed at 20.9 ± 0.4 °C.
Under the conditions of this study, the Pow and log Pow of the test material were 3.5 x 10^1 and 1.5, respectively, at 20 °C.
Reference
Table 1: Pow of the test material
Ratio n-octanol:water [v:v] |
Analysed concentration |
Pow |
log Pow |
pH |
||
n-Octanol (g/L) |
Water (g/L) |
Individual |
Mean |
|||
1:1 |
0.0367 |
0.00100 |
3.7 x 10^1 |
3.6 x 10^1 |
1.6 |
7.2 |
0.0380 |
0.00108 |
3.5 x 10^1 |
1.5 |
7.2 |
||
1:2 |
0.0564 |
0.00187 |
3.0 x 10^1 |
2.9 x 10^1 |
1.5 |
7.2 |
0.0542 |
0.00201 |
2.7 x 10^1 |
1.4 |
7.2 |
||
2:1 |
0.0284 |
0.000689 |
4.1 x 10^1 |
4.0 x 10^1 |
1.6 |
7.2 |
0.0288 |
0.000725 |
4.0 x 10^1 |
1.6 |
7.2 |
||
Mean |
3.5 x 10^1 |
|
1.5 |
|
||
Standard deviation |
5.5 x 10^0 |
|
|
|
||
Description of key information
Under the conditions of this study, the Pow and log Pow of the test material were 3.5 x 10^1 and 1.5, respectively, at 20 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.5
- at the temperature of:
- 20 °C
Additional information
The partition coefficient of the test material was determined in accordance with the standardised guidelines OECD 107, EU Method A.8 and US EPA OPPTS 830.7550 under GLP conditions using the shake flask method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
A stock solution of the test material was prepared in 0.1 M phosphate buffer pH 7 saturated with n-octanol at a nominal concentration of 112 mg/L. Duplicate test samples were prepared at ratios of 1:1, 1:2 and 2:1 v/v of n-octanol:water. The test samples were shaken for 30 minutes. Phase separation was obtained by centrifugation at 3500 g and 20 °C for 5 minutes. The solutions were analysed by HPLC. The test was performed at 20.9 ± 0.4 °C.
Under the conditions of this study, the Pow and log Pow of the test material were 3.5 x 10^1 and 1.5, respectively, at 20 °C.
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