Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
December 13, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
CAS No.: 162492-01-5 (or 264888-31-5); EINECS-No.: 500-734-6; Batch No.: DR0072912; Appearance: transparent viscous liquid, Purity: 100 % (UVCB); Homogeneity: homogeneous
Analytical method:
liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 2.8 - < 4.9
Temp.:
25 °C
pH:
> 5 - < 6
Details on results:
For each reference substance, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference substance. A calibration function (log k versus log POW, linear fit) was determined using the literature values for POW of the reference substances and the retention times in the six determinations.
The test substance showed 10 peaks with retention times between 3.12 and 30.09 minutes. Four of this 10 peaks show a relative area <5 %, they are considered as minor peaks and are not taken in the account in the determination of log POW of the test substance.
Variations of the retention times of reference substances are very small. Therefore, a stable configuration of the HPLC-column can be assumed.
The correlation log k/log POW is good: the coefficient of determination r2 was calculated with 0.9913.

With the calibration function log k versus log POW, the corresponding log POW values of the major peaks of the test substance were determined:

Peak

Mean Area
[mAU*min][1]

Relative Area [%]

Mean Retention Time [min]

log POW
±Standard Deviation

2

3.423 

9.62 

3.47

2.826±0.002

3

11.697 

32.87 

3.87

3.034±0.002

4

10.479 

29.45 

4.33 

3.237 ± 0.001

5

3.060 

8.60

4.86

3.438 ± 0.001

7

1.835

5.16

11.45

4.701 ± 0.002

8

1.948

5.47 

13.15

4.885 ± 0.001

These values are the means ± standard deviations of three independent determinations.


[1]mAU = milli absorbance units

Conclusions:
Under the study conditions, the log Pow of the test substance lies in the range of 2.8 – 4.9.
Executive summary:

A study was conducted to determine partition coefficient according to OECD Guideline 117 and EU Method A.8 (HPLC method), in compliance with GLP. The study was performed using a HPLC with a C18 column. Seven reference substances with different retention times and thiourea for the determination of the dead time were used for the calibration curve. Under the study conditions, the log Pow of the test substance lies in the range of 2.8 – 4.9 (Feierabend, 2018).

Description of key information

The partition coefficient was determined according to OECD Guideline 117 and EU Method A.8 (Feierabend, 2018).

Key value for chemical safety assessment

Log Kow (Log Pow):
4.9
at the temperature of:
25 °C

Additional information

The log Pow range of the substance was 2.8 – 4.9.