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EC number: 203-529-7 | CAS number: 107-88-0
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:
- Study initiation date: 29 June 2009 Study completion date: 28 October 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP-Guideline Study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Storage: at approx. 4 °C/ cool; at room temperature
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- 0.13
- Temp.:
- 25 °C
- pH:
- 7.5
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.9
- Temp.:
- 25 °C
- pH:
- 7.5
- Conclusions:
- Partition coefficient n-octanol / water (Pow) (OECD 117): Pow = 0.13 / log Pow = -0.9
- Executive summary:
The partition coefficient n-octanol / water (Pow) of the test item was determined according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method. Partition coefficient n-octanol / water (Pow): Pow = 0.13 / log Pow = -0.9
Reference
Summary of the results of the HPLC measurements of the reference compounds and the test item:
Sample |
tR1 [min] |
tR2 [min] |
tR [min] |
k´ |
log k´(x) |
log Pow (y) |
0 |
1.17 |
1.17 |
1.17 |
|
|
|
1 |
1.80 |
1.80 |
1.80 |
0.538 |
-0.269 |
0.32) |
2 |
2.46 |
2.46 |
2.46 |
1.103 |
0.043 |
1.02) |
3 |
3.71 |
3.72 |
3.72 |
2.179 |
0.338 |
1.72) |
4 |
4.19 |
4.19 |
4.19 |
2.581 |
0.412 |
1.62) |
5 |
4.95 |
4.96 |
4.96 |
3.239 |
0.510 |
1.92) |
6 |
2.71 |
2.71 |
2.71 |
1.316 |
0.119 |
1.12) |
Test item |
1.32 |
|
|
0.128 |
-0.893 |
-0.943) |
Test item |
|
1.32 |
|
0.128 |
-0.893 |
-0.943) |
1) For the names of the reference compounds see table above!
2) Results from the OECD guideline for the testing of chemieals No. 117: "Partition Coefficient (n-octanol/water), HPLC method" (13 April 2004).
3) Extrapolated from linearized function log Pow = f(log k' ) of the calibration data, because there are no calibration substances available with log Pow < 0.3.
The log Pow-values of the test item fall within a range of ± 0.1 units, thus the test is satisfactory.
Plot of the log k' of the calibration substances against their log Pow:
The linear regression of the log k' of the calibration substances against their log Pow has a correlation coefficient of r = 0.9901
Regression equation: Y =2.0335 * x + 0.8759
Description of key information
Partition coefficient (OECD 117): -0.9 at 25 °C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.9
- at the temperature of:
- 25 °C
Additional information
The partition coefficient n-octanol / water (Pow) of the test item was determined according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method. Partition coefficient n-octanol / water (Pow): Pow = 0.13 / log Pow = -0.9
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