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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2 June 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
< 0.3
Temp.:
22 °C
pH:
6
Details on results:
OBSERVATIONS
- The test material eluted after the retention time marker but before the lowest Kow standard.

RESULTS
- The test material was composed of two close peaks, with retention times of 1.95 and 2.39 minutes.
- The individual log Kow values and the weighted average log Kow are summarised in Table 1.
- The retention time for the test material was below the range obtained from standards. The Kow determined was less than the lowest Kow standard methyl ethyl ketone which has a Kow of 0.3. All results are reported as less than 0.3. The test material displayed a weight-averaged log Kow of < 0.3 at neutral pH as per the method in OECD Test No. 117.

Table 1: Summary of Partition Coefficient Data in Neutral Conditions

Preparation Number

Concentration (g/mL)

Peak Retention Time (min)

Peak Area (%)

log Kow

Weighte Average log Kow

1

5.25 g/L in

methanol:water

(50:50)

1.948

89.1

-0.10

<0.3

2.391

10.9

0.35

2

5.71 g/L in

methanol:water

(50:50)

1.863

91.9

-0.22

<0.3

2.305

8.1

0.28

Average

<0.3

Conclusions:
Under the conditions of this study the test material displayed a weight-averaged log Kow of < 0.3 at neutral pH.
Executive summary:

The partition coefficient of the test material was determined in accordance with the standardised guideline OECD 117 under GLP conditions using the HPLC method.

The test material was dissolved in methanol:water (50:50). Two separate samples were prepared, and each was analysed using HPLC. The log Kow of the test material was determined using a calibration curve constructed from 7 reference materials (plot of capacity factors against log Kow).

The test material was composed of two close peaks, with retention times of 1.95 and 2.39 minutes. The retention time for the test material was below the range obtained from standards. The Kow determined was less than the lowest Kow standard methyl ethyl ketone which has a Kow of 0.3.

Under the conditions of this study the test material displayed a weight-averaged log Kow of < 0.3 at neutral pH.

Description of key information

Under the conditions of the study the test material displayed a weight-averaged log Kow of < 0.3 at neutral pH.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.3
at the temperature of:
22 °C

Additional information

The partition coefficient of the test material was determined in accordance with the standardised guideline OECD 117 under GLP conditions using the HPLC method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

The test material was dissolved in methanol:water (50:50). Two separate samples were prepared, and each was analysed using HPLC. The log Kow of the test material was determined using a calibration curve constructed from 7 reference materials (plot of capacity factors against log Kow).

The test material was composed of two close peaks, with retention times of 1.95 and 2.39 minutes. The retention time for the test material was below the range obtained from standards. The Kow determined was less than the lowest Kow standard methyl ethyl ketone which has a Kow of 0.3.

Under the conditions of this study the test material displayed a weight-averaged log Kow of < 0.3 at neutral pH.