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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:
1 June 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
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
< 0.3
Temp.:
22.5 °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 a single component, with a retention time of 1.95 minutes. This peak was below the lowest Kow Standard.
- The individual log Kow values and the weighted average log Kow were determined and the results are summarised in Table 1. Note that only one peak was observed representing 100% of the peak area.
- 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

Peak Retention Time (min)

Peak Area (%)

log Kow

Weighted Average log Kow

1

1.36 mg/mL in

methanol:water

(50:50)

1.954

100

-0.11

< 0.3

2

1.74 mg/mL in

methanol:water

(50:50)

1.895

100

-0.19

< 0.3

Average

< 0.3

Relative Percent Difference (RPD, %)

N/A

Absolute Difference (log units)

N/A

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 a single component, with a retention time of 1.95 minutes. This peak was below the lowest Kow Standard.

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

NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.

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:
22.5 °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 a single component, with a retention time of 1.95 minutes. This peak was below the lowest Kow Standard.

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