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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:
2013-01-21 to 2013-02-27
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)
Version / remarks:
1989
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)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.8
Temp.:
35 °C
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.

Reference substances log Pow tR1 tR2 tRm k log k
Thiourea 2.033 2.033 2.03
Benzyl alcohol, 1.1 2.581 2.581 2.58 0.27 -0.569
Benzene 2.1 3.832 3.83 3.83 0.884 -0.053
Toluene 2.7 4.832 4.829 4.83 1.376 0.139
1,4-Dichlorobenzene 3.4 6.023 6.019 6.02 1.962 0.293
Cumene 3.7 7.361 7.355 7.36 2.619 0.418
1,2,4-Trichlorobenzene 4.2 9.187 9.178 9.18 3.517 0.546
Linear regression parameters : log Pow = a * log k + b 
  
Correlation coefficient:r2 = 0.996  a =3.5653  b = 2.247 
tR1 k log k log Pow
Test substance tR1 4.713 1.3182 0.12 2.8
Test substance tR2 4.71 1.3168 0.1195 2.8
Test substance tRm 4.712 1.3175 0.1196 2.8
Conclusions:
The partition coefficient log Pow of the test substance was determined to be log Pow = 2.8 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. The HPLC method was used to determine the partition coefficient Pow. A test solution of the test substance (10.1 mg/25 mL) was prepared in the mobile phase (75 % methanol and 25 % 20 mM potassium phosphate buffer (v/v)). The measurement was done at 35 °C. The HPLC void time (to; mean=2.03) was determined using Thiourea. Two individual log Pow values for the test item were derived and a mean value was calculated. The partition coefficient log Pow of the test substance was determined to be log Pow = 2.8 at 35 °C.

Description of key information

The partition coefficient log Pow of the test substance was determined to be log Pow = 2.8 at 35 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.8
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 in two individual measurements with a test concentration of 404 mg/L. The measurement was done at 35 °C. A mean value was calculated from the individual log Pow values. The partition coefficient log Pow of the test substance was determined to be log Pow = 2.8 at 35 °C.