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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)
Principles of method if other than guideline:
To determine partition coefficient of test chemical by using 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:
-2.227
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

40.373

 

44.802

 

42.587

 

10

Assay-2

1/1

30

217.070

 

217.596

 

217.333

 

10

Assay-3

2/1

20

84.388

 

84.550

 

84.469

 

10

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

0.522

 

0.534

 

0.528

 

10

Assay-2

1/1

30

1.662

 

1.705

 

1.684

 

10

Assay-3

2/1

40

0.176

 

0.190

 

0.183

 

10

Table 3

Assay

 

Ratio

(n-octanol/water)

 Cn-octanol/ Cwater

Pow

Log Pow

Mean of Log Pow

Assay-1

 

1/2

0.528/42.587

 

 

0.012

 

-1.907

 

-2.227± 0.391

Assay-2

 

1/1

1.684/217.333

 

 

0.008

 

-2.111

 

Assay-3

 

2/1

0.183/84.469

 

 

0.002

 

-2.664

 

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 -2.227 ± 0.391 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 -2.227± 0.391at 250C 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 of test substance was determined as per the shake flask method (OECD Guideline-107). The log Pow value was  determined  to be -2.227 ± 0.391 at 25 oC temperature.

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.227
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 -2.227± 0.391at 250C 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.