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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
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:
OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
Deviations:
no
Qualifier:
equivalent or similar to
Guideline:
EU Method A.23 Partition Coefficient (1-Octanol/Water): Slow-Stirring Method
Deviations:
no
GLP compliance:
yes (incl. certificate)
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:
5.87
Temp.:
25 °C
pH:
6

Table 1: 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

67.24

26591

0.0347

 765340

5.88

5.81

0.05

0.92

72.65

24197

0.0387

 624965

5.80

90.69

26110

0.0457

 571693

5.76

95.69

25301

0.0401

 631145

5.80

2

67.24

24243

0.0294

 823814

5.92

5.88

0.06

1.05

72.65

24824

0.0278

 894149

5.95

90.69

25040

0.0384

 651257

5.81

95.69

25255

0.0354

 712576

5.85

3

67.24

24557

0.0264

 929472

5.97

5.94

0.07

1.17

72.65

25385

0.0251

1012259

6.01

90.69

24544

0.0352

 697254

5.84

95.69

26488

0.0303

 873782

5.94

 

 

 

 

log POW,Av

5.87

 

 

 

 

 

 

slog POW,Av

0.07

 

 

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 = 5.87 ± 0.07 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 5.896 (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 = 5.87 ± 0.07 at 25 ± 1 °C and pH 6.0.

Description of key information

log Pow (slow stir) = 5.87 ± 0.07 at 25 ± 1 °C and pH 6.0, OECD TG 123, 2018

Key value for chemical safety assessment

Log Kow (Log Pow):
5.87
at the temperature of:
25 °C

Additional information

 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 5.896 (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 = 5.87 ± 0.07 at 25 ± 1 °C and pH 6.0.