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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:
25 - 31 Jul 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
GLP compliance:
no
Type of method:
other: slow stirring
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
0.675
Temp.:
25 °C
pH:
4 - 4.02
Remarks on result:
other: RSD = 0.4 %
Details on results:
See "Any other information on results incl. tables"

Study results:

The concentration of the test item in the water and 1 -octanol phase was determined after 48, 50, 52 and 54 hours, ensuring that an equilibrium concentration was established in both phases. At each test time, three different test solutions were analyzed. The concentrations of the test item in the different test solutions are listed below:

Test solution

Weighed sample, mg

Volume 1-octanol, mL

1

1.154

40 (32.8 g)

2

1.152

40 (32.8 g)

3

1.158

40 (32.8 g)

Measured concentrations of the test item in the 1 -octanol and buffer solution phases of the three different test solutions at 4 different times are summarized in the following 2 tables.

Time, h

Test solution 1, test item in mg/g 1-octanol

Test solution 2, test item in mg/g 1-octanol

Test solution 3, test item in mg/g 1-octanol

48

6.223

6.188

6.245

50

6.222

6.198

6.282

52

6.251

6.239

6.234

54

6.178

6.212

6.244

Mean

6.219

6.209

6.251

Time, h

Test solution 1, test item in mg/g buffer solution

Test solution 2, test item in mg/g buffer solution

Test solution 3, test item in mg/g buffer solution

48

1.305

1.307

1.334

50

1.311

1.307

1.334

52

1.310

1.304

1.335

54

1.311

1.311

1.320

Mean

1.309

1.307

1.331

Equilibrium for all test solutions was established. The mass balance could be calculated on the basis of the measured concentrations of the test item (found value) and the corrected real sample weights of test item in 40 mL 1-octanol and 700 mL buffer solution after 54 hours.

 

Test solution 1

Test solution 2

Test solution 3

Weighed sample, mg

1115

1113

1119

Found value, mg in 40 mL 1-octanol

199.2

200.3

201.4

Found value, mg in 700 mL buffer solution

915.6

916.1

925.8

Recovery, %

100.0

100.3

100.7

The calculated value considers the real sample weight and the three time points of measurement before the 54 hours measurement. The real sample weight has to be corrected for the amounts of test item that has been removed from the octanol and aqueous phases for measurement.

Subsequently, the ratios of concentrations and their logarithms were calculated.

Time, h

Test solution 1

Test solution 2

Test solution 3

co/cw

log (co/cw)

co/cw

log (co/cw)

co/cw

log (co/cw)

48

4.768

0.678

4.734

0.675

4.681

0.670

50

4.747

0.676

4.743

0.676

4.710

0.673

52

4.773

0.679

4.786

0.680

4.670

0.669

54

4.711

0.673

4.737

0.675

4.729

0.675

The resulting mean values for the different test solutions are listed below.

Test solution

Mean value co/cw

Standard deviation

Mean value log (co/cw)

Standard deviation

1

4.750

0.028

0.677

0.00460

2

4.750

0.024

0.677

0.00408

3

4.697

0.027

0.672

0.00709

mean

4.732

 

0.675

 

RSD

0.64%

 

0.41%

 

Description of key information

log Pow  = 0.675 at 25 °C, pH = 4.00 - 4.02

Key value for chemical safety assessment

Log Kow (Log Pow):
0.675
at the temperature of:
25 °C

Additional information

The partition coefficient of the substance was determined using the slow stirring method according to OECD 123.