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EC number: 200-198-0 | CAS number: 54-21-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Data is from experimental report
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.594
- Temp.:
- 25 °C
- Remarks on result:
- other: other details not available
- Conclusions:
- The partition coefficient of test substance was determined as per the shake flask method (OECD Guideline-107). The log Pow value was determined to be -1.594± 0.227 at 25 0C temperature.
- Executive summary:
The Partition coefficient (Pow) of test chemical at 25°C was estimated according to the OECD Guideline No. 107,”Shake Flask Method”.In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the organic and aqueous phases.The log Pow value was determined to be -1.594± 0.227 at 25°C temperature.
By considering this log Pow value it can be concluded that test chemical is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.
Reference
Table-1
WATER PHASE |
||||||
Assay |
Ratio (n-octanol/water) |
V(ml) |
Concentration (mg/l) of test item |
Mean concentration mg/l |
Dilution factor |
|
R1 |
R2 |
|||||
Assay-1 |
1/2 |
40 |
1564.432 |
1580.310 |
1572.371 |
50 times |
Assay-2 |
1/1 |
30 |
773.056 |
770.105 |
771.580 |
10 times |
Table-2
OCTANOL PHASE |
||||||
Assay |
Ratio (n-octanol/water) |
V(ml) |
Concentration (mg/l) of test item |
Mean concentration mg/l |
Dilution factor |
|
R1 |
R2 |
|||||
Assay-1 |
1/2 |
20 |
35.568 |
19.690
|
27.629 |
Stock
|
Assay-2 |
1/1 |
30 |
26.944 |
29.895
|
28.420
|
Stock
|
Table-3
Assay |
Ratio (n-octanol/water) |
C n-octanol / Cwater |
Pow |
Log Pow |
Mean of Log Pow |
Assay-1 |
1/2 |
27.629/1572.371 |
0.018 |
-1.755 |
-1.594± 0.227 |
Assay-2 |
1/1 |
28.420/770.105 |
0.037 |
-1.434 |
Description of key information
The Partition coefficient (Pow) of test chemical at 25°C was estimated according to the OECD Guideline No. 107,”Shake Flask Method”.In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the organic and aqueous phases.The log Pow value was determined to be -1.594± 0.227 at 25°C temperature.
By considering this log Pow value it can be concluded that test chemical is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.594
- at the temperature of:
- 25 °C
Additional information
The Partition coefficient (Pow) of test chemical at 25°C was estimated according to the OECD Guideline No. 107,”Shake Flask Method”.In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the organic and aqueous phases.The log Pow value was determined to be -1.594± 0.227 at 25°C temperature.
In next experimental study value of octanol water partition co-efficient (log Pow) of test chemical is -1.259 dimensionless at 25 °C.
Further, in predicted study the Octanol water partition co-efficient (log Pow) of test chemical was estimated to be -1.49 dimensionless at 25 ° C.
By considering these log Pow value it can be concluded that test chemical is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.
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