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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:
19-01-2018 to 12-03-2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study performed under GLP. All relevant validity criteria were met.
Qualifier:
according to guideline
Guideline:
OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
Deviations:
no
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.23 Partition Coefficient (1-Octanol/Water): Slow-Stirring Method
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
inspected: July 2016; signature: January 2017
Type of method:
slow-stirring method
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
mass spectrometry
Type:
log Pow
Partition coefficient:
4.468
Temp.:
25 °C
pH:
6

Table 1.0: Partition Coefficient Results

Replicate

Test

Measured concentration

POW

Log POW

number

Duration [h]

in n-octanol
[mg/L]

in aq. Phase
[mg/L]

 

Single

Mean

SD ±

CV

1

69.85

13557

0.458

29572

4.47

4.46

0.02

0.40

74.85

12741

0.464

27476

4.44

93.93

13427

0.444

30255

4.48

95.93

13114

0.449

29182

4.47

2

69.85

13675

0.457

29929

4.48

4.47

0.03

0.60

74.85

13093

0.408

32072

4.51

93.93

13903

0.465

29930

4.48

95.93

12907

0.468

27578

4.44

3

69.85

13712

0.464

29560

4.47

4.47

0.04

0.76

74.85

13288

0.401

33138

4.52

93.93

12962

0.459

28217

4.45

95.93

13136

0.476

27595

4.44

 

 

 

 

log POW,Av

4.468

 

 

 

 

 

 

slog POW,Av

0.001

 

 

aq. Phase = Aqueous phase

POW = Partition coefficient (n-octanol / water)

Log POW = Decadic logarithm of the partition coefficient (n-octanol / water)

SD = Standard deviation

CV = Coefficient of variation [%]

log POW,Av = Weighted average value of log POW

slog POW,Av = Weighted standard deviation

Conclusions:
The octanol / water partition coefficient was determined to be log Pow = 4.468 ± 0.001 at 25 ± 1 °C and pH 6.0.
Executive summary:

The partition coefficient of the substance was determined according to OECD TG 123 - slow stirring method under GLP, at 25 ± 1 °C from three independent replicates (test vessels) with four sub-replicates (samples). The pH-value of the aqueous phases was determined by a pH-meter. The mean pH was in range of 5.90 (start) and 6.00 (end) during the study. Analytical evaluation was performed using GC-MS on a capillary analytical column using the test item for external calibration. The analytical method was validated with satisfactory results regarding linearity, limit of quantification, accuracy, precision and specificity. The temperatures were kept constant at 25 ± 1 °C. The mean log Pow values in the equilibration time for each replicate fell within a range of ± 0.3 log and equilibrium was determined by the regression line of the log Pow value vs. sampling time. A slope not significantly different from zero of at least 4 points verified the attainment of equilibrium. The octanol / water partition coefficient was determined to be log Pow = 4.468 ± 0.01 at 25 ± 1 °C and pH 6.0.

Description of key information

log Pow (slow stir) = 4.468 ± 0.01 at 25 ± 1 °C and pH 6.0, OECD TG 123, 2018

Key value for chemical safety assessment

Log Kow (Log Pow):
4.468
at the temperature of:
25 °C

Additional information

Key study : OECD TG 123, 2018 : The partition coefficient of the substance was determined according to OECD TG 123 - slow stirring method under GLP, at 25 ± 1 °C from three independent replicates (test vessels) with four sub-replicates (samples). The pH-value of the aqueous phases was determined by a pH-meter. The mean pH was in range of 5.90 (start) and 6.00 (end) during the study. Analytical evaluation was performed using GC-MS on a capillary analytical column using the test item for external calibration. The analytical method was validated with satisfactory results regarding linearity, limit of quantification, accuracy, precision and specificity. The temperatures were kept constant at 25 ± 1 °C. The mean log Pow values in the equilibration time for each replicate fell within a range of ± 0.3 log and equilibrium was determined by the regression line of the log Pow value vs. sampling time. A slope not significantly different from zero of at least 4 points verified the attainment of equilibrium. The octanol / water partition coefficient was determined to be log Pow = 4.468 ± 0.01 at 25 ± 1 °C and pH 6.0.