4,4'-(2,3-epoxypropoxy)-2,2'- dimethyl-5,5'-tert-butyldiphenylsulphide

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

7 April 2011 to 9 April 2011

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

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

2008

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:

> 6.5

Temp.:

25 °C

Remarks on result:

other: pH not specified

Details on results:

- The three calibration series and three test material series were measured alternately. The partition coefficient (Pow) was determined based on a calibration curve using 6 reference substances.
- The capacity factors k’ were calculated from the dead time and retention times of the reference substances. The log k’ data of the reference substances were plotted against their log Pow values. The equation of the curve fitted to the calibration points is as follows:
log k = 0.272 * log Pow – 0.660 (Rsq = 0.988)
- Quality criteria were met, as values of log p derived from individual measurements fell within a range of ± 0.1 log units.
- Retention time measured for the test material (12.95 min) is higher than that of the last eluting standard; DDT (6.72 min). This result shows that log Pow of the test material is higher than the calibrated range.
- The estimated log Pow is higher than 6.5.

Table 1: Measured and calculated data of the test material

Name	Retention time (min)	log k’	log Pow	Pow	Repeatability Δlog Pow log unit
		Calculated data
Test Material	12.97	1.406	7.59	38532526	0.00
	12.97	1.406	7.59	38532526
	12.94	1.406	7.58	38193598
	12.94	1.405	7.58	38193598
	12.95	1.405	7.58	38306332
	12.94	1.405	7.58	38193598
Mean	12.95	1.405	7.58	38325363
Conf. (95%)	-	-	0.002	174551
CV%	0.1	-	-	-

Conclusions:

Under the conditions of this study, the estimated log Pow of the test material was > 6.5.

Executive summary:

The partition coefficient of the test material was investigated in accordance with the standardised guidelines OECD 117 and EU Method A.8, under GLP conditions.

In the course of this study the partition coefficient (Pow) of the test material was determined using high performance liquid chromatography.

The retention time of the test material was higher than that of the last eluting standard, therefore an accurate value of log Pow could not be given.

Under the conditions of this study, the estimated log Pow of the test material was > 6.5.

Description of key information

Under the conditions of the study, the estimated log Pow of the test material was > 6.5.

Additional information

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

In the course of the study the partition coefficient (pow) of the test material was determined using high performance liquid chromatography.

The retention time of the test material was higher than that of the last eluting standard, therefore an accurate value of log Pow could not be given.

Under the conditions of the study, the estimated log Pow of the test material was > 6.5.