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Partition coefficient

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Reference
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:
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

         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

 

 

 

 

 

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.

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.