1,2,4,5-Benzenetetracarboxylic acid, tetra-C6-10-alkyl esters

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

3 November 2010 - 4 November 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted to GLP in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Tetra-C6-10-(even and linear)-alkyl benzene-1,2,4,5-tetracarboxylate

EC Number:

700-623-4

Cas Number:

263750-17-0

Molecular formula:

C34H54O8 - C50H86O8

IUPAC Name:

Tetra-C6-10-(even and linear)-alkyl benzene-1,2,4,5-tetracarboxylate

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

> 6.5

Temp.:

25 °C

Remarks on result:

other: Test pH not reported.

Details on results:

Test pH not reported.

The accurate log Pow for the test material could not be calculated, because the measured retention times are out of the calibrated range.
The extrapolated values were calculated for 6 components of the test material.

Retention times measured for the test material (51 - 135 min) are significantly higher than that of the last eluting standard, DDT (6.2 min). This result shows that log Pow of the test material is significantly higher than the calibrated range. Therefore extrapolated values were determined. Since the test material is a mixture of homologues, the weighted average log Pow was calculated for the five main components, which contribute a peak area of 5 % or more.

Any other information on results incl. tables

Table 1: Measured and calulated data of the components of the test iem above 5%.

Constituent	Retention time (min)	log k’	Log POW
		Calculated	Extrapolated
Component 2 (area %: 8.6)	49.63	1.559	14.25
	50.37	1.566	14.30
	51.79	1.578	14.40
	52.20	1.581	14.42
	50.64	1.568	14.32
	50.19	1.564	14.29
Mean	50.80	1.569	14.3
CV %	2	-	-
Component 3 (area %: 19.2)	63.61	1.669	15.09
	64.67	1.677	15.15
	66.61	1.690	15.25
	67.21	1.694	15.28
	64.96	1.679	15.16
	64.29	1.674	15.13
Mean	64.23	1.680	15.2
CV %	2	-	-
Component 4 (area %: 28.5)	81.25	1.778	15.91
	82.77	1.786	15.98
	85.36	1.799	16.08
	86.03	1.803	16.11
	82.99	1.787	15.99
	82.16	1.783	15.95
Mean	83.43	1.789	16.0
CV %	2	-	-
Component 5 (area %: 26.5)	103.47	1.884	16.72
	105.28	1.892	16.78
	109.04	1.907	16.90
	110.21	1.912	16.94
	105.52	1.893	16.79
	104.32	1.888	16.75
Mean	106.31	1.896	16.8
CV %	3	-	-
Component 6 (area %: 14.1)	131.65	1.990	17.53
	134.45	1.999	17.60
	138.77	2.013	17.70
	140.45	2.018	17.74
	133.63	1.997	17.58
	132.75	1.994	17.56
Mean	135.28	2.002	17.6
CV %	3	-	-
Weighted average of the extrapolated log POWvalues             16

Applicant's summary and conclusion

Conclusions:

The estimated log Pow of the test material is higher than 6.5.
The weighted average of the extrapolated log Pow values of the five main components is 16.

Executive summary:

In a partition coefficient study (10/095-346AN), the log partition coefficient (log Pow) was estimated to be greater than 6.5 according to EU Test method A.8.