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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:
2018-02-28 to 2018-03-01
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 - HPLC Method)
Deviations:
no
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
5.5
Temp.:
20 °C
Remarks on result:
other: pH value not measured
Details on results:
Regression Calibration data 1nd injection: r2 = 0.9807; a = 2.833 b = 2.754
Regression Calibration data 2st injection: r2 = 0.9809; a = 2.828 b = 2.757

log Pow of the test item - 1st injection

tR/ min

k

log k

log Pow

Test item

12.75

9.42

0.97

5.5

log Pow of the test item - 2n d injection

tR/ min

k

log k

log Pow

 Test item

12.78

9.44

0.98

5.5

Conclusions:
The partition coefficient n-octanol/water of the test item was determined to be log Pow 5.5.
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. A solution of the test substance was prepared in the mobile phase methanol / distilled water 75:25 % (v/v). 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. The partition coefficient n-octanol/water of the test item was determined to be log Pow 5.5 at 20 °C.

Description of key information

The partition coefficient n-octanol/water of the test item was determined to be log Pow 5.5 (reference 4.7 -1).

Key value for chemical safety assessment

Log Kow (Log Pow):
5.5
at the temperature of:
20 °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 (reference 4.7 -1). A solution of the test substance was prepared in the mobile phase methanol / distilled water 75:25 % (v/v). 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.The partition coefficient n-octanol/water of the test item was determined to be log Pow 5.5 at 20 °C.