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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:
from 2018-02-16 to 2018-
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-1.35
Temp.:
20 °C
pH:
>= 9.2 - <= 9.25
Details on results:
The ratio of n-Octanol : Milli-Q water used in the study was 1:1, 1:2 and 2:1 and resulted in log partition coefficient (log Pow) values of -1.47, -1.46, -1.12, respectively, for the different ratios tested. The mean log partition coefficient (log Pow) of the test item was found to be -1.35 at 20.0 °C.

Determination of partition coefficient of the test item

Sample Code

Peak Area

Slope

Intercept

Dilution Factor

Theoretical/ Nominal Conc. (mg/L)

Conc. obtained (mg/L)

Mean Conc. obtained (mg/L)

Pow

Log (Pow)

Mean Log (Pow)

1:1 Oct R1 REP 1

232659

655255.4341

10934.09

50

546.05

16.92

16.92

0.034

-1.47

-1.35

1:1 Oct R1 REP 2

233080

655255.4341

10934.09

50

16.95

1:1 Oct R2 REP 1

232581

655255.4341

10934.09

50

16.91

1:1 Oct R2 REP 2

232472

655255.4341

10934.09

50

16.90

1:1 Water R1 REP 1

3582995

655255.4341

10934.09

91

496.08

496.06

1:1 Water R1 REP 2

3582874

655255.4341

10934.09

91

496.06

1:1 Water R2 REP 1

3580845

655255.4341

10934.09

91

495.78

1:1 Water R2 REP 2

3584621

655255.4341

10934.09

91

496.30

1:2 Oct R1 REP 1

222139

655255.4341

10934.09

50

16.12

16.62

0.035

-1.46

1:2 Oct R1 REP 2

232560

655255.4341

10934.09

50

16.91

1:2 Oct R2 REP 1

229602

655255.4341

10934.09

50

16.69

1:2 Oct R2 REP 2

230313

655255.4341

10934.09

50

16.74

1:2 Water R1 REP 1

3472567

655255.4341

10934.09

91

480.74

480.88

1:2 Water R1 REP 2

3473499

655255.4341

10934.09

91

480.87

1:2 Water R2 REP 1

3472345

655255.4341

10934.09

91

480.71

1:2 Water R2 REP 2

3475896

655255.4341

10934.09

91

481.20

2:1 Oct R1 REP 1

472211

655255.4341

10934.09

50

35.20

35.32

0.075

-1.12

2:1 Oct R1 REP 2

472544

655255.4341

10934.09

50

35.22

2:1 Oct R2 REP 1

475248

655255.4341

10934.09

50

35.43

2:1 Oct R2 REP 2

475202

655255.4341

10934.09

50

35.43

2:1 Water R1 REP 1

3081860

655255.4341

10934.09

100

468.66

472.63

2:1 Water R1 REP 2

3107961

655255.4341

10934.09

100

472.64

2:1 Water R2 REP 1

3122179

655255.4341

10934.09

100

474.81

2:1 Water R2 REP 2

3119477

655255.4341

10934.09

100

474.40

Conclusions:
The logPow of the test item was determined to be -1.35 at 20 °C.
Executive summary:

A study was conducted in accordance with OECD TG 107, Regulation (EC) No 440/2008 method A.8 and OPPTS 830.7550 to determine the partition coefficient of the test substance using the shake flask method. A stock solution of the test substance was prepared in n-octanol pre-saturated with water. HPLC. Test vessels with octanol/water mixture in different ratios (1:1, 1:2 and 2:1) were shaken for 5 minutes by hand. Separation of the two phases was achieved by centrifugation at 20 °C (10 min, 5000 rpm). Then the two phases were analysed using HPLC-UV. The partition coefficient of the test item was determined to be 0.048. The log Pow is -1.35.

Description of key information

The logPow of the test item was determined to be -1.35 at 20 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.35
at the temperature of:
20 °C

Additional information

A study was conducted in accordance with OECD TG 107, Regulation (EC) No 440/2008 method A.8 and OPPTS 830.7550 to determine the partition coefficient of the test substance using the shake flask method. A stock solution of the test substance was prepared in n-octanol pre-saturated with water. HPLC. Test vessels with octanol/water mixture in different ratios (1:1, 1:2 and 2:1) were shaken for 5 minutes by hand. Separation of the two phases was achieved by centrifugation at 20 °C (10 min, 5000 rpm). Then the two phases were analysed using HPLC-UV. The partition coefficient of the test item was determined to be 0.048. The log Pow is -1.35.