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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2012-04-03 to 2012-05-31
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
GLP study conducted in accordance with EU and OECD Guidelines with a valid GLP certificate.
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2008
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-3.72
Remarks on result:
other: Temp and pH not specified
Details on results:
See tables below under.

The concentration of Reactive Yellow F01 -0555 in both phases, the mass balance as well as the pH of the water phase are provided in Tabe 1. The calculated Powvalues are summarised in Table 2.

Table 1.:      Concentration of Reactive Yellow F01-in the two-phase system and pH of the water phase

Solvent ratio
(1-Octanol: Water)

Concentration of

Reactive Yellow F01-0555(mg/L)

pH

1-octanol phase

water phase

1:1

0.606

2759

5.28

0.451

2732

5.28

0.493

2766

5.27

0.542

2756

5.27

0.529

2773

5.27

Mean

0.524

2757

-

Coefficient of variation (CV)

11.0%

0.6%

-

95 % Confidence interval

0.1

16.4

 

Quantity of test item in the phases (M)

0.0126 mg

66.171 mg

-

Mo+Mw:

66.184 mg

Ms:

64.709 mg

Recovery:

102%

2:1

0.745

4275

5.26

0.908

4114

5.27

1.019

4089

5.27

0.928

4062

5.28

1.105

4123

5.28

Mean

0.941

4132

-

Coefficient of variation (CV)

14.3%

2.0%

-

95 % Confidence interval

0.1

132

 

Quantity of test item in the phases (M)

0.0301 mg

66.120 mg

-

Mo+Mw:

66.150 mg

Ms:

64.709 mg

Recovery:

102%

 


 

 Table 1 (cont.).:Concentration of Reactive Yellow F01 -0555 in the two-phase system and pH of the water phase

Solvent ratio
(1-Octanol: Water)

Concentration of

Reactive Yellow F01-0555(mg/L)

pH

1-octanol phase

water phase

4:1

1.03

6776

5.25

1.15

6935

5.26

1.24

6873

5.26

1.02

6840

5.25

1.02

6886

5.25

Mean

1.09

6883

-

Coefficient of variation (CV)

8.9%

0.6%

-

95 % Confidence interval

0.10

62.6

 

Quantity of test item in the phases (M)

0.0420mg

66.079 mg

-

Mo+Mw:

66.121 mg

Ms:

64.709 mg

Recovery:

102%

 

 

 

Table 2.:      Calculated partition coefficient (Pow) and logPowvalues obtained in the 15 experiments (3 solvent ratios with replicates in each).

Solvent ratio
(1-Octanol: Water)

Pow

Log Pow

1:1

0.000220

-3.66

0.000165

-3.78

0.000178

-3.75

0.000197

-3.71

0.000191

-3.72

Mean

0.00019

-3.72

Conclusions:
The Pow and Log Pow of Reactive Yellow F01-0555 was calculated from the concentration of the test item in the equilibrated 1-octanol-water two phase system.

Based on three experiments with different solvent ratios (performed in five replicates) the following results were observed:
 
Pow of Reactive Yellow F01-0555 is 0.000192±0.000086
 
Log Pow of Reactive Yellow F01-0555 is -3.72±0.19.
Executive summary:

This study has been performed in accordance with the study plan, Directive of the European Communities: Methods for the Determination of Physico-Chemical Properties (A.8), Organisation for Economic Co-operation and Development (OECD), OECD Guidelines for Testing of Chemicals, Guideline No. 107,”Partition Coefficient (n-octanol/water): Shake Flask Method”, adopted July 27, 1995 and the Principles of Good Laboratory Practice (GLP) and reported with a valid GLP certificate.

 

The purpose of this study was to determine the partition coefficient of Reactive Yellow F01 -0555.

The Powand Log Powof Reactive Yellow F01-0555 was calculated from the concentration of the test item in the equilibrated 1-octanol-water two phase system.

Based on three experiments with different solvent ratios (performed in five replicates) the following results were observed:

 

Powof Reactive Yellow F01-0555 is 0.000192 ± 0.000086

 

Log Powof Reactive Yellow F01-0555 is -3.72 ± 0.19.

Description of key information

Log Kow of substance is -3.72 ± 0.19.

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.72

Additional information

The Kow and Log Kow of Reactive Yellow F01-0555 were calculated from the concentration of the test item in the equilibrated 1-octanol-water two phase system.

Based on three experiments with different solvent ratios (performed in five replicates) the following results were observed:

 

Kow of Reactive Yellow F01-0555 is 0.000192 ± 0.000086

 

Log Kow of Reactive Yellow F01-0555 is -3.72 ± 0.19.