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EC number: - | CAS number: -
- Life Cycle description
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- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
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- Auto flammability
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- Endpoint summary
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- Ecotoxicological Summary
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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:
- The study was conducted between 23 October, 2014 and 01 July, 2015
- 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)
- Deviations:
- no
- Principles of method if other than guideline:
- As per the above mentioned guidelines
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- None
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- < 0.001
- Temp.:
- 22.8 °C
- pH:
- 6
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -3.3
- Temp.:
- 22.8 °C
- pH:
- 6
- Details on results:
- Overall Pow : < 5.04E-04
log10 Pow : < -3.30
Pow standard deviation : n/a - Conclusions:
- The partition coefficient (log Pow) of the test item has been determined to be less than -3.30 at 22.8 ± 0.5 °C.
- Executive summary:
The partition coefficient of the test substance was investigated in a study conducted according to OECD Guideline 107 and EU Method A.8. Shake flask method was used for this purpose. Based on the findings of the study, the partition coefficient (Pow) of the test substance was calculated to be less than 5.04E-04 at 22.8 ± 0.5 °C, while the log Pow was less than -3.30.
Reference
Validation
Organic phase: The linearity of the detector response with respect to concentration was assessed over the concentration range of 2.57 to 20.6 mg/L (n = 6). The results were satisfactory with a correlation coefficient (r2) of 0.9998 being obtained.
Aqueous phase: The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 25.4 to 203 mg/L (n = 7). The results were satisfactory with a correlation coefficient (r2) of 0.9994 being obtained.
Results
The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:
Organic Phase
Solution |
Mean Peak Area* |
Standard 10.4 mg/L |
2.0969E+06 |
Standard 10.1 mg/L |
2.0975E+06 |
Organic phase matrix blank |
N.D. |
Sample 1 |
N.D. |
Sample 2 |
N.D. |
Sample 3 |
N.D. |
Sample 4 |
N.D. |
Sample 5 |
N.D. |
Sample 6 |
N.D. |
Aqueous Phase
Solution |
Mean Peak Area* |
Standard 104 mg/L |
2.0580E+07 |
Standard 103 mg/L |
1.9485E+07 |
Aqueous phase matrix blank |
N.D. |
Sample 1 |
1.9368E+07 |
Sample 2 |
1.9996E+07 |
Sample 3 |
1.9115E+07 |
Sample 4 |
1.9463E+07 |
Sample 5 |
1.9243E+07 |
Sample 6 |
1.9386E+07 |
Stock solution A |
2.0071E+07 |
Stock solution B |
2.0160E+07 |
* N.D. = None detected
The total weights (mg) and analyzed concentration (mg/L) of the respective phases are shown in the following table:
Sample number |
Total weight (mg)* |
Organic phase |
Aqueous phase |
% recovery |
|||
Analyzed concentration (mg/L)‡ |
Weight (mg)† |
Analyzed concentration (mg/L) )‡ |
Weight (mg)† |
pH |
|||
1 |
855 |
< 5.0 |
< 0.41 |
1.01E+04 |
824 |
6.0 |
96.4 |
2 |
751 |
< 5.0 |
< 0.36 |
1.04E+04 |
747 |
6.0 |
99.5 |
3 |
584 |
< 5.0 |
< 0.56 |
9.92E+03 |
555 |
6.2 |
95.2 |
4 |
563 |
< 5.0 |
< 0.54 |
1.01E+04 |
545 |
6.0 |
96.9 |
5 |
1.16E+03 |
< 5.0 |
< 0.28 |
9.98E+03 |
1108 |
6.0 |
95.7 |
6 |
866 |
< 5.0 |
< 0.21 |
1.01E+04 |
835 |
6.0 |
96.5 |
pH of n-octanol saturated water: 6.0
pH of stock solution: 6.0
Temperature: 22.8 ± 0.5 °C
The partition coefficient determined for each sample is shown in the following table:
Sample number |
Organic / aqueous volume ratio |
Partition coefficient |
Log10Pow |
Mean partition coefficient |
1 |
1:1 |
< 4.98E-04 |
< -3.30 |
< 4.98E-04 |
2 |
< 4.82E-04 |
< -3.32 |
||
3 |
2:1 |
< 5.04E-04 |
< -3.30 |
< 5.04E-04 |
4 |
< 4.95E-04 |
< -3.31 |
||
5 |
1:2 |
< 5.01E-04 |
< -3.30 |
< 5.01E-04 |
6 |
< 4.97E-04 |
< -3.30 |
* From analysis of the stock solution
‡See discussion
†From analysis of the respective phase
Description of key information
The partition coefficient (log Pow) of the test substance was calculated to be less than -3.30 at 22.8 ± 0.5 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.3
- at the temperature of:
- 22.8 °C
Additional information
The partition coefficient of the test substance was investigated in a study conducted according to OECD Guideline 107 and EU Method A.8. Shake flask method was used for this purpose. Based on the findings of the study, the partition coefficient (Pow) of the test substance was calculated to be less than 5.04E-04 at 22.8 ± 0.5 °C, while the log Pow was less than -3.30.
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