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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2015-04-21 to 2015-06-05
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
Givaudan Suisse SA Ecotoxicological Laboratory 5, ch, de la Parfumerie CH-1214 Vernier/Geneva Switzerland
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.4
Temp.:
35 °C
pH:
7
Remarks on result:
other: The determination was performed at 35 °C, but the values obtained can be considered to represent the values at ambient temperature. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Details on results:
Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor.

Reference substances

log Pow

tR1

tR2

tRm

k

Log k

Thiourea

2.110

2.111

2.11

Benzyl alcohol

1.1

2.551

2.551

2.55

0.209

-0.680

Benzene

2.1

3.759

3.757

3.76

0.781

-0.108

Toluene

2.7

4.722

4.719

4.72

1.237

0.092

1,4-Dichlorbenzene

3.4

5.859

5.854

5.86

1.775

0.249

Cumene

3.7

7.137

7.129

7.13

2.380

0.377

1,2,4-Trichlorobenzene

4.2

8.904

8.8393

8.90

3.216

0.507

Test item

2.4

3.782

3.783

3.783

0.792

-0.1011

 

Linear regression parameters : Log Pow = a * log k + b

 

Correlation coefficient:

r2 = 0.9828

Slope: a = 2.6218

Y-axis intercept: b = 2.6756

Conclusions:
The partition coefficient log Pow of the test substance was determined to be log Pow = 2.4 at 35 °C.
Executive summary:

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance. Using the HPLC method partition coefficient Pow was determined to be 2.4 at 35 °C. The determination was performed at 35 °C, but the values obtained can be considered to represent the values at ambient temperature. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Description of key information

The partition coefficient log Pow of the test substance was determined to be log Pow = 2.4 at 35 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.4
at the temperature of:
35 °C

Additional information

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance. Using the HPLC method partition coefficient Pow was determined to be 2.4 at 35 °C. The determination was performed at 35 °C, but the values obtained can be considered to represent the values at ambient temperature. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.