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EC number: 618-848-0 | CAS number: 92413-47-3
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:
- 04.12.91 - 23.05.92
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.38
- Temp.:
- 25 °C
- pH:
- ca. 6.5
- Conclusions:
- The partition coefficient n-octanol/water of the test item was determined according to the flask method. It was found to be: log Pow > 4.3845
- Executive summary:
A study was conducted in accordance with EU method A.8 to determine the partition coefficient of the test substance using the shake flask method. The partition coefficient POWis defined as the ratio of the equilibrium concentrations of a dissolved test item in the two-phase system consisting of n-octanol and water. The partition coefficient POWis dimensionless and usually given in the form of its logarithm to base ten. The partition coefficient (n-octanol/water) of the test item was determined at room temperature to be: log POW= 4.3845
Reference
Determined concentrations in the n-octanol phase
Sample No |
Concentration in mg/mL |
1 |
2.410 |
2 |
2.447 |
3 |
2.406 |
4 |
2.436 |
5 |
2.400 |
6 |
2.442 |
Determined concentrations in the aqueos phase
Sample no |
Concentration in mg/mL |
1 |
<0.0001 |
2 |
<0.0001 |
3 |
<0.0001 |
4 |
<0.0001 |
5 |
<0.0001 |
6 |
<0.0001 |
Calculation
Sample No |
Mass/mg |
Mass determined/mg |
% |
CO/CW=P |
Log P |
1 |
57.372 |
<57.841 |
100.82 |
>24100 |
5.3829 |
2 |
57.372 |
<58.729 |
102.37 |
>24470 |
4.3886 |
3 |
43.029 |
<43.310 |
100.65 |
>24060 |
4.3813 |
4 |
43.029 |
<43.850 |
101.91 |
>24360 |
4.3867 |
5 |
28.686 |
<28.802 |
100.40 |
>24000 |
4.3802 |
6 |
28.686 |
<29.306 |
102 .16 |
>24420 |
4.3877 |
Mean: >24235 Log mean 4.3845
Description of key information
The partition coefficient (n-octanol/water) of the test item was determined according to the shake flask method the partition coefficient was determined at room temperature. It was found to be: log POW= 4.3845
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.385
- at the temperature of:
- 20 °C
Additional information
A study was conducted in accordance with EU method A.8 to determine the partition coefficient of the test substance using the shake flask method. The partition coefficient POWis defined as the ratio of the equilibrium concentrations of a dissolved test item in the two-phase system consisting of n-octanol and water. The partition coefficient POWis dimensionless and usually given in the form of its logarithm to base ten. The partition coefficient (n-octanol/water) of the test item was determined at room temperature to be: log POW= 4.3845
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