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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017-03-22 to 2017-
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
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:
> 6.5
Temp.:
25 °C
Remarks on result:
other: Average area: 55.69%
Key result
Type:
log Pow
Partition coefficient:
> 6.5
Temp.:
25 °C
Remarks on result:
other: Average area: 44.31%
Details on results:
Using the capacity factor k’ and the partition coefficient log Pow of the reference items, the following calibration curve was obtained:
log Kow = 3.6837 log k’ + 2.3071
r2 = 0.9954

The partition coefficient log Kow of the test item is as follows:

 

Peak number

Retention time

Average retention time

Log Kow

% Area

Average % Area

Average log Kow

1

35.67

35.66

>6.5

45.02

44.31

>6.5

35.66

>6.5

44.05

35.66

>6.5

43.87

2

36.52

36.51

>6.5

54.98

55.69

>6.5

36.51

>6.5

55.95

36.51

>6.5

56.13

 

 

Conclusions:
The partition coefficient log Kow of the test item is as follows:

Peak number 1: average retention time 35.66, average area 44.31%, average log Kow > 6.5
Peak number 2: average retention time 36.51, average area 55.69%, average log Kow > 6.5

Executive summary:

The purpose of the study was to determine the partition coefficient of the test item between n-octanol and water using the HPLC-method: the partition coefficient was determined based on the calibration curve using reference items for which the Kow value is known.

 

The value of log Kow derived from three repeated measurements made under identical conditions and using the same set of reference substances fell within a range of + 0.1 log units, the test is thus considered as valid.

 

The partition coefficient log Kow of the test item is as follows:

 

Peak number

Retention time

Average retention time

Log Kow

% Area

Average % Area

Average log Kow

1

35.67

35.66

>6.5

45.02

44.31

>6.5

35.66

>6.5

44.05

35.66

>6.5

43.87

2

36.52

36.51

>6.5

54.98

55.69

>6.5

36.51

>6.5

55.95

36.51

>6.5

56.13

 

Description of key information

The octanol/water partition coefficient of the test item was determined by an experimental study performed in accordance with the OECD 117 Test Guideline and GLP requirements.


The partition coefficient (log Kow) corresponding to the two main components of the test item (average areas: 44.31%, 55.69%) was greater than 6.5.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.5
at the temperature of:
25 °C

Additional information