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Adsorption / desorption

The objective of the key study (Volic, 2016) was to estimate the adsorption coefficient (Koc) using high performance liquid chromatography (HPLC). The test was conducted according to EC Guideline C.19 and to OECD Guideline 121 in compliance with GLP. The HPLC method was performed at neutral pH. Solutions of the reference substance DDT (CAS 50 -29 -3) based on soil adsorption data and the test item were analyzed. Reference substance and test item solutions were injected in duplicate while blank solutions were analyzed by single injection. Based on the retention times of the compounds the Koc and log Koc values of the test item were determined.

In the chromatogram of the test item solution, one peak with a retention time of 6.4 minutes was observed. Under the same analytical conditions, the retention time of DDT (log Koc = 5.63) was 4.7 minutes. It was concluded that the log Koc of the test item at neutral pH and at a test temperature of 35°C is > 5.63 (Koc > 4.27 x 10E5).

In the supporting QSAR calculations for tetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate the following data has been evaluated:

The estimated soil adsorption coefficient Log Koc using MCI model from EPI Suite Software v4.1 is 10.58

The estimated soil adsorption coefficient Log Koc using Log Kow model from EPI Suite Software v4.1 is 4.12

According to the McCall classification scheme of soil mobility potential, Log Koc above 8.97 means the substance is immobile in soil.

Henry´s Law constant and Distribution modelling

Henry's law constant at 25°C is 2.59E-008 atm-m3/mole(2.62E-003 Pa-m3/mole) calculated with EPI Suite v4.1 software. The substance tetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate is not in the applicability domain of MW range of 26.04 – 451.74, the substance has a MW of 703.02 g/mol.