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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:
17 October 2019 - 25 October 2019
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:
0.89
Temp.:
20 °C
pH:
>= 6.54 - <= 6.7
Details on results:
The partition coefficient 1-octanol/water (log Kow) at 20.0 ± 1.0ºC of the test item was found to be 0.89 ± 0.01 (pH 6.54 - 6.70).

Table 1: Study solution

Sample

 

Weight

of the sample

[mg]

Dilution

[ml]

Cp

[mg/ml]

Peak area

 

Average peak area

Ap

X

[g/kg]

1/w

1008.88

5-1.0-10

20.1776

71557

70775

71166

0.0718

2/w

1005.95

5-1.0-10

20.119

71166

70502

70834

0.0717

3/w

1008.81

5-1.0-10

20.1762

101040

100995

101017.5

0.1020

4/w

1003.56

5-1.0-10

20.0712

99190

98667

98928.5

0.1004

5/w

1002.59

5-1.0-10

20.0518

56826

56808

56817

0.0577

6/w

1024.79

5-1.0-10

20.4958

59415

59354

59384.5

0.0590

stock1

407.02

25-0.5-10

0.81404

200051

200360

200205.5

5.0082

stock2

401.24

25-0.5-10

0.80248

184635

183703

184169

4.6734

1/o

813.28

10-0.5-10

4.066

131212

130990

131101

0.6565

2/o

813.94

10-0.5-10

4.070

132278

132842

132560

0.6633

3/o

803.17

10-0.5-10

4.016

191999

191414

191706.5

0.9721

4/o

808.81

10-0.5-10

4.044

189747

189690

189718.5

0.9553

5/o

808.53

10-0.5-10

4.043

109748

109710

109729

0.5527

6/o

815.03

10-0.5-10

4.075

112416

112562

112489

0.5621

Table 2. Results of measurements at 20 ºC

Vial number

1

2

3

4

5

6

Temperature, °C

19.5

19.5

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

0.0718

0.0717

0.1020

0.1004

0.0577

0.0590

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

0.6565

0.6633

0.9721

0.9553

0.5527

0.5621

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

0.5416

0.5472

0.8020

0.7881

0.4560

0.4637

Mass of test item in water phase ∙103, g

0.4308

0.4302

0.8160

0.8032

0.2308

0.2360

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

3.2497

3.2833

3.2079

3.1525

3.6478

3.7099

Mass of test item in both phases ∙103, g

3.6805

3.7135

4.0239

3.9557

3.8786

3.9459

Added mass of test item ∙103g                                      

3.9937

3.9937

3.9937

3.9937

3.9937

3.9937


Table 3. 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

7.54

7.63

7.86

7.85

7.90

7.86

log Pow= Log(C1-octanol/Cwater)

0.88

0.88

0.90

0.89

0.90

0.90

Average log Pow+ standard deviation

0.88 ± 0.00

0.90 ± 0.00

0.90 ± 0.00

Average log Pow+ standard deviation

0.89 ± 0.01

Table 4. Measured pH values of water phase

        Vial number

1

2

3

4

5

6

pH before test

5.85

5.85

5.85

5.85

5.85

5.85

pH after test

6.54

6.60

6.66

6.57

6.60

6.70
Conclusions:
The experimentally obtained value of log Kow of Et-NENA at 20.0ºC is 0.89.
Executive summary:

The partition coefficient 1-octanol/water (log Kow) of Et-NENA 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 0.89 ± 0.01 (pH 6.54 - 6.70).

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 0.89.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.89
at the temperature of:
20 °C

Additional information