2-ethylhexyl 4-(dimethylamino)benzoate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

19 July 2016 to 03 February 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

> 6.2

Remarks on result:

not determinable

Details on results:

A calibration plot of log10k’ versus log10 Pow was constructed for the reference standards. The retention time of the test material was determined to be longer than that of each standard in the reference mixture.
The test material was thus determined to have a log10 Pow value of greater than 6.2.

Table 1: HPLC determination of Log10 Pow

Sample	Component	tr (minutes)	k’	log10k’	log10 Pow
Standard Run A (t0 = 1.376 minutes)	Acetanilide	1.605	0.166	-0.779	1.0
	Nitrobenzene	2.144	0.558	-0.253	1.9
	Ethylbenzoate	2.759	1.005	0.002	2.6
	Bromobenzene	3.297	1.396	0.145	3.0
	Benzylbenzoate	3.695	1.685	0.227	4.0
	DDT	11.873	7.629	0.882	6.2
Sample A (t0 = 1.374 minutes)	Test material	14.586	-	-	>6.2
Sample B (t0 = 1.377 minutes)	Test material	14.576	-	-	>6.2
Standard Run B (t0 = 1.375 minutes)	Acetanilide	1.604	0.167	-0.778	1.0
	Nitrobenzene	2.142	0.558	-0.254	1.9
	Ethylbenzoate	2.755	1.004	0.002	2.6
	Bromobenzene	3.291	1.393	0.144	3.0
	Benzylbenzoate	3.689	1.683	0.226	4.0
	DDT	11.838	7.609	0.881	6.2

Linear regression (based on mean of standard runs A and B): log10 Pow = 3.21 log10k’ + 3.00

Conclusions:

Under the conditions of this study the test material was found to have a log10 Pow value of greater than 6.2.

Executive summary:

The partition coefficient of the test material was determined in accordance with the standardised guidelines OECD 117 and EU Method A.8 under GLP conditions using high performance liquid chromatography.

In order to correlate the measured capacity factor (k’) of the test material with its Pow, six reference materials were selected from a list of recommended compounds. These reference compounds were selected to have log10 Pow values between 1.0 and 6.2. An internal standard (formamide) with no retention on the HPLC column was used to determine the deadtime of the HPLC system (I.D.S.).

A solution of test material (approximately 100 mg/L in HPLC mobile phase, and also containing I.D.S.) was prepared and chromatographed in duplicate, bracketed by samples of the reference mixture.

Under the conditions of this study the test material was found to have a log10 Pow value of greater than 6.2.

Description of key information

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

 

Under the conditions of this study, the test material was found to have a log10 Pow value greater than 6.2.

Key value for chemical safety assessment

Log Kow (Log Pow):

6.2