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:
October 2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Well conducted GLP study according to OECD Guideline 117.
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
yes
Remarks:
For obtaining sufficient separation between the signal peaks of the three main constituents of the test substance in the HPLC chromatogram, the water content of the mobile phase (eluent) was 15%.
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
5
pH:
6
Remarks on result:
other: Constituent 1
Type:
log Pow
Partition coefficient:
5.5
pH:
6
Remarks on result:
other: Constituent 2
Type:
log Pow
Partition coefficient:
6
pH:
6
Remarks on result:
other: Constituent 3
Details on results:
The average retention times of the reference substances as well as the test substance constituents, corrected for the dead time, are presented in Table V. The theoretical log Pow values of the reference substances were taken from OECD guideline 117.

Table V: Retention time and corresponding log k, log Powdata

Substance

log Pow

theor.

Net
retention time
(min)

Average
log k

log Pow

calculated

Thiourea

 

0

 

 

Aniline

0.9

0.24

-0.81

 

Methylbenzoate

2.1

0.80

-0.29

 

Bromobenzene

3.0

1.71

0.04

 

Naphthalene

3.6

2.16

0.14

 

Fluoranthene

5.1

6.61

0.63

 

4,4’-DDT

6.5

7.35

0.67

 

Testsubstance, constituent 1

 

4.83

0.49

5.0

Testsubstance, constituent 2

 

6.65

0.63

5.5

Testsubstance, constituent 3

 

9.15

0.77

6.0

Conclusions:
The purpose of this study was to determine the partition coefficient (n-octanol/water) of the test substance using the high performance liquid chromatography (HPLC) method, complying with the OECD Guideline No. 117.

In the test, the average measured log Pow value for the 3 constituents of the test substance was calculated with the retention time from two injections, using the calibration plot of log k versus log Pow of the selected reference substances. The average measured log Pow value for the test substance, as determined from the test, ranged from 5.0 to 6.0. The test substance had a Pow range of 1.0E+05 to 9.8E+05.
Executive summary:

Well described GLP study, carried out according to OECD guideline.

Substances having a log Pow greater than 3 are regarded as having the potential to bioaccumulate in the environment.

The partition coefficient of the test substance ranged from log Pow 5.0 to 6.0.

Description of key information

The partition coefficient of the test substance ranged from log Pow 5.0 to 6.0

Key value for chemical safety assessment

Log Kow (Log Pow):
6
at the temperature of:
20 °C

Additional information

The purpose of this study was to determine the partition coefficient (n-octanol/water) of the test substance using the high performance liquid chromatography (HPLC) method, complying with the OECD Guideline No. 117. In the test, the average measured log Pow value for the 3 constituents of the test substance was calculated with the retention time from two injections, using the calibration plot of log k versus log Pow of the selected reference substances. The average measured log Pow value for the test substance, as determined from the test, ranged from 5.0 to 6.0. The test substance had a Pow range of 1.0E+05 to 9.8E+05.