Ethyl salicylate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017-02-16

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)

Version / remarks:

2004

Qualifier:

according to guideline

Guideline:

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

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:

3.07

Temp.:

21.9 °C

Remarks on result:

other: No pH value was measured as the test item does not have functional groups with influence the result of the test.

Details on results:

Validity criteria were assessed and all were met.

The results of the reference items were as follows:

Reference item	Log Pow	1^stcalibration			2^ndcalibration
		tR1 (min)	k	Log k	tR2 (min)	k	Log k
Benzonitrile	1.6	1.626	1.70	0.230	1.626	1.70	0.230
Nitrobenzene	1.9	2.157	2.58	0.412	2.145	2.56	0.408
Toluene	2.7	3.828	5.36	0.729	3.840	5.38	0.730
Ethylbenzene	3.2	5.216	7.66	0.884	5.212	7.65	0.884
Biphenyl	4.0	7.956	12.2	1.09	7.924	12.2	1.08
Dibenzyl	4.8	13.152	20.8	1.32	13.040	20.6	1.31
Fluoranthene	5.1	19.971	32.2	1.51	19.907	32.0	1.51

Both calibrations had a R value > 0.9.

The measurement of the test item according to the 2 calibrations gives following results:

Replicate	tR(min)	k	Log k	Log Pow (1^stcalibration)	Log Pow (2^ndcalibration)
1 2	4.312 4.332	6.16 6.19	0.789 0.792	3.06±0.06	3.07±0.07
Mean	4.322	6.18	0.791	3.07

Conclusions:

The partition coefficient log Pow was determined to be 3.07 at 21.9°C.

Executive summary:

In the current study the partition coefficient (n-octanol/water) of the test item was determined according to OECD Guideline 117 (2004) and GLP.

The test was performed with a concentration of 10 mg/L of the test item in Methanol : HPLC-Water (75 : 25). Samples were analysed via HPLC on a C18 column with diode array detection. Calibration was performed using 8 reference items with known log Pow values. The reference items were measured twice, once before and once after the measurement of the test item. The void time of the HPLC system was determined with sodium nitrate.

The validity criteria were reached.

Two individual log Pow values for the test item were derived (first and second calibration). Finally, a mean value was calculated from these individual log Pow values.

The partition coefficient log Pow was determined to be 3.07 at 21.9 °C.

Description of key information

log Kow = 3.07 at 21.9 °C (OECD 117)

Key value for chemical safety assessment

Log Kow (Log Pow):

3.07

at the temperature of:

21.9 °C

Additional information

In the current study the partition coefficient (n-octanol/water) of the test item was determined according to OECD Guideline 117 and GLP.

The test was performed with a concentration of 10 mg/L of the test item in Methanol : HPLC-Water (75 : 25). Samples were analysed via HPLC on a C18 column with diode array detection. Calibration was performed using 8 reference items with known log Pow values. The reference items were measured twice, once before and once after the measurement of the test item. The void time of the HPLC system was determined with sodium nitrate. The validity criteria were reached.