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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
03 July 2019 - 12 July 2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Key result
Type:
log Pow
Partition coefficient:
-0.23
Temp.:
20 °C
pH:
>= 6.31 - <= 6.69

Table 1. Results of measurements at 20 ºC:

Vial number

1

2

3

4

5

6

Temperature, °C

19.5

19.9

19.9

Volume of added stock solution, ml       

1

1

1

1

1

1

Volume of water, ml

6

6

8

8

4

4

Volume of 1-octanol, ml

5

5

3

3

7

7

Volume 1-octanol phase/volume of water phase

1:1

1:2

2:1

Test item concentration in water phase, g/l

0.0561

0.0600

0.0499

0.0482

0.0963

0.0944

Test item concentration in 1-octanol phase, g/kg

0.0432

0.0445

0.0587

0.0612

0.0364

0.0365

Test item concentration in 1-octanol phase, g/l

0.0356

0.0367

0.0484

0.0505

0.0300

0.0301

Mass of test item in water phase ∙103, g

0.3366

0.3600

0.3992

0.3856

0.3852

0.3776

Mass of test item  in

1-octanol phase ∙103, g

0.2138

0.2203

0.1937

0.2020

0.2402

0.2409

Mass of test item in both phases ∙103, g

0.5504

0.5803

0.5929

0.5876

0.6254

0.6185

Added mass of test item 103 , g

                                      

0.6136

0.6136

0.6136

0.6136

0.6136

0.6136

Table 2. Calculated values of partition coefficient 1-octanol/water

Vial number

1

2

3

4

5

6

Volume 1-octanol phase/volume of water phase

1:1

1:2

2:1

Pow= C1-octanol/Cwater

0.64

0.61

0.97

1.05

0.31

0.32

log Pow= Log(C1-octanol/Cwater)

-0.20

-0.21

-0.01

0.02

-0.51

-0.50

Average log Pow+ standard deviation

-0.21 ± 0.01

0.004 ± 0.023

-0.50 ± 0.01

Average log Pow+ standard deviation

-0.23 ± 0.23

Table 3. Measured pH values:

Vial number

1

2

3

4

5

6

pH before test

6.56

6.56

6.56

6.56

6.56

6.56

pH after test

6.59

6.38

6.31

6.48

6.69

6.69
Conclusions:
The experimentally obtained value of log Kow of the test substance at 20.0ºC is -0.23.
Executive summary:

The partition coefficient 1-octanol/water (log Kow) of the test item was determined according to EU method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was determined by a validated UV-VIS spectrophotometric method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item was found to be -0.23 ± 0.23 (pH 6.31 - 6.69).

Description of key information

Key study. Test method according to OECD 107 / EU Method A.8 (shake flask method), GLP study. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item is -0.23.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.23
at the temperature of:
20 °C

Additional information