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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:
29 October 2018 - 09 November 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Test method according to EEC A.8 and OECD 107. GLP 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:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.86
Temp.:
20 °C
pH:
>= 6.8 - <= 6.98
Details on results:
The partition coefficient 1-octanol/water (log Kow) at 20.0ºC of diundecyl phthalate was found to be 1.86 ± 0.03 (pH 6.80 - 6.98).

Table 1. Results of measurements at 20 ºC:

Vial number

1

2

3

4

5

6

Temperature, °C

19.8

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

0.0154

0.0151

0.0207

0.0216

0.0122

0.0131

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

1.3562

1.3590

1.9774

1.9971

1.0458

1.0154

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

1.1189

1.1212

1.6314

1.6476

0.8628

0.8377

Mass of test item in water phase ∙103, g

0.092400

0.090600

0.165600

0.172800

0.048800

0.052400

Mass of test item  in 1-octanol phase ∙103, g

6.7132

6.7271

6.5254

6.5904

6.9023

6.7016

Mass of test item in both phases ∙103, g

6.8056

6.8177

6.6910

6.7632

6.9511

6.7540

Added mass of test item ∙103, g                                      

6.8279

6.8279

6.8279

6.8279

6.8279

6.8279

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

72.65

74.25

78.81

76.28

70.72

63.95

log Pow= Log(C1-octanol/Cwater)

1.86

1.87

1.90

1.88

1.85

1.81

Average log Pow+ standard deviation

1.87 ± 0.01

1.89 ± 0.01

1.83 ± 0.03

Average log Pow+ standard deviation

1.86±0.03

Table 3. Measured pH values:

        Vial number

1

2

3

4

5

6

pH before test

6.15

6.15

6.15

6.15

6.15

6.15

pH after test

6.97

6.98

6.88

6.82

6.80

6.81

Conclusions:
The experimentally obtained value of log Kow of diundecyl phthalate (DUP) at 20.0 °C is 1.86.
Executive summary:

The partition coefficient 1-octanol/water (log Kow) of diundecyl phthalate (DUP) was determined according to EEC 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 HPLC analytical method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item was found to be 1.86 ± 0.03 (pH 6.80 - 6.98).

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 1.86.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.86
at the temperature of:
20 °C

Additional information

Key study: The partition coefficient 1-octanol/water (log Kow) of diundecyl phthalate (DUP) was determined according to EEC 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 HPLC analytical method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item was found to be 1.86 ± 0.03 (pH 6.80 - 6.98).