Oleic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1 November 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:

7.62

Temp.:

22 °C

pH:

6

Details on results:

OBSERVATIONS
- The test material eluted as two major, late running peaks and one minor early running peak.

RESULTS
- The test material was composed of two main and one minor component, with a retention time from approximately 3.8 to 16.7 minutes. Only the two main peaks with an area greater than 5% of the total were included in the calculations of Kow.
- The individual log Kow values and the weighted average log Kow were determined. The results are summarised in Table 1. Note that only the peaks greater than 5% total area are included in this table.
- The error in the measurements was estimated using the relative percent difference (RPD) of the two independent preparations analysed in these experiments. The difference between the two preparations was 0.09 log units, corresponding to 1.17% RPD.
- The test material displayed a weight-averaged log Kow of 7.62 as per the method in OECD Test No. 117.

Table 1: Summary of Partition Coefficient Data in Neutral Conditions

Preparation Number	Concentration (g/L)	Peak Retention Time (min)	Peak Area (%)	log Kow	Weighted Average log Kow
1	0.26	12.28	38.09	7.06	7.66
		16.74	59.23	8.05
2	0.29	11.95	39.23	6.97	7.57
		16.38	57.92	7.98
Average					7.62
Relative Percent Difference (RPD, %)					1.17
Absolute Difference (log units)					0.089

Conclusions:

Under the conditions of this study, the test material displayed a weight-averaged log Kow of 7.62.

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.

Although the test material chemical structure indicated that it was anionic with an amine cation, it was run at neutral pH. The mobile phase used was methanol:water 90:10

The test material was composed of two main and one minor component, with a retention time from approximately 3.8 to 16.7 minutes. Only the two main peaks with an area greater than 5% of the total were included in the calculations of Kow. The error in the measurements was estimated using the relative percent difference (RPD) of the two independent preparations analysed in these experiments. The difference between the two preparations was 0.09 log units, corresponding to 1.17% RPD.

Under the conditions of this study, the test material displayed a weight-averaged log Kow of 7.62.

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 7.62 at 22°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

7.62

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).

Although the test material chemical structure indicated that it was anionic with an amine cation, it was run at neutral pH. The mobile phase used was methanol:water 90:10

The test material was composed of two main and one minor components, with a retention time from approximately 3.8 to 16.7 minutes. Only the two main peaks with an area greater than 5% of the total were included in the calculations of Kow. The error in the measurements was estimated using the relative percent difference (RPD) of the two independent preparations analysed in these experiments. The difference between the two preparations was 0.09 log units, corresponding to 1.17% RPD.

Under the conditions of this study, the test material displayed a weight-averaged log Kow of 7.62 at 22°C.