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:
7 April 2011 to 9 April 2011
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)
Version / remarks:
2004
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
2008
Deviations:
no
GLP compliance:
yes (incl. certificate)
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: pH not specified
Details on results:
- The three calibration series and three test material series were measured alternately. The partition coefficient (Pow) was determined based on a calibration curve using 6 reference substances.
- The capacity factors k’ were calculated from the dead time and retention times of the reference substances. The log k’ data of the reference substances were plotted against their log Pow values. The equation of the curve fitted to the calibration points is as follows:
log k = 0.272 * log Pow – 0.660 (Rsq = 0.988)
- Quality criteria were met, as values of log p derived from individual measurements fell within a range of ± 0.1 log units.
- Retention time measured for the test material (12.95 min) is higher than that of the last eluting standard; DDT (6.72 min). This result shows that log Pow of the test material is higher than the calibrated range.
- The estimated log Pow is higher than 6.5.

Table 1: Measured and calculated data of the test material

Name

Retention time (min)

log k’

log Pow

Pow

Repeatability Δlog Pow log unit

Calculated data

Test Material

12.97

1.406

7.59

38532526

0.00

12.97

1.406

7.59

38532526

12.94

1.406

7.58

38193598

12.94

1.405

7.58

38193598

12.95

1.405

7.58

38306332

12.94

1.405

7.58

38193598

Mean

12.95

1.405

7.58

38325363

Conf. (95%)

-

-

0.002

174551

CV%

0.1

-

-

-

Conclusions:
Under the conditions of this study, the estimated log Pow of the test material was > 6.5.
Executive summary:

The partition coefficient of the test material was investigated in accordance with the standardised guidelines OECD 117 and EU Method A.8, under GLP conditions.

In the course of this study the partition coefficient (Pow) of the test material was determined using high performance liquid chromatography.

The retention time of the test material was higher than that of the last eluting standard, therefore an accurate value of log Pow could not be given.

Under the conditions of this study, the estimated log Pow of the test material was > 6.5.

Description of key information

Under the conditions of the study, the estimated log Pow of the test material was > 6.5.

Key value for chemical safety assessment

Additional information

 The partition coefficient of the test material was investigated in accordance with the standardised guidelines OECD 117 and EU Method A.8, under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

In the course of the study the partition coefficient (pow) of the test material was determined using high performance liquid chromatography.

The retention time of the test material was higher than that of the last eluting standard, therefore an accurate value of log Pow could not be given.

Under the conditions of the study, the estimated log Pow of the test material was > 6.5.