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Adsorption / desorption

Regarding soil adsorption properties for the substance Benzenepropanoic acid, 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxy-,C7 -9 branched alkyl esters (CAS 125643 -61 -0)two experimental results are available. The HPLC screening method was used in both experiments, both in accordance with Method C19 of Commission Directive 2001/59/EC. In the key study, 0.5068 g of material was diluted to 100 mL with methanol (Wolley and Mullee, 2006). The column temperature of the HPLC system was 40 °C with a pH 6.9. As result a Koc of 1.22 x 10E4 is reported with a corresponding logKoc of 4.08.

In the second experiment, 0.1056 g of material was diluted to 100 mL with acetonitrile (Walker and Mullee, 2007). The column temperature of the HPLC system was 30 °C. As result a Koc greater than 4.27 x 10 E5 is reported with a corresponding logKoc greater than 5.63.

Further experimental results are available for Butyl 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxybenzenepropanoate (CAS 52449 -44 -2) and Benzenepropanoic acid, 3,4 -bis(1,1 -dimethylethyl)-4 -hydroxy-2 -ethylhexylester (CAS 144429 -84 -5). In the case of Butyl 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxybenzenepropanoate (CAS 52449 -44 -2), the Koc was determined as 1.70 x 10E4 with a corresponding logKoc of 4.23. The column temperature of the HPLC system was 30 °C with a pH 5.54.

The Koc of Benzenepropanoic acid, 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxy-2 -ethylhexylester (CAS 144429 -84 -5) was determined to be greater than 4.27 x 10E5 with the corresponding logKoc greater than 5.63 (Woolley and Mullee, 2007).

Henry´s Law constant / Distribution modelling

Henry Law Constant (calculated by EPI-Win): 0.266 Pa*m3/mol

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