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Phototransformation (air, water, soil)

Phototransformation in air, water and in soil are no mandatory endpoints for the registration of a chemical under REACH Regulation (EC) 1907/2006 for substances produced between 10 - 100 tons/year.


Unfortunately, no results can be reported for this mandatory endpoint under REACH regarding Benzenepropanoic acid, 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxy-,C7 -9 branched alkyl esters (CAS 125643 -61 -0). However, data from two read-across substances are available.

Butyl 3.5-bis(1.1-dimethylethyl)-4-hydroxybenzenepropanoate (CAS 52449-44-2) was tested for hydrolysis using Method C7 of Commission Directive 92/69/EEC (O´Connor, 2000). Three buffer solutions were prepared for pH4, 7 and 9, respectively. At pH 4 half life of greater than 1 year at 25 °C was determined. At pH 7 it was not possible to accurately quantify the rate kinetics due to the slow rate of hydrolysis even at elevated temperatures, therefore the hydrolytic half life has been estimated as greater than 1 year using the software HYDROWIN v1.67. At pH 9, a rate constant of 2.78 x 10^-7 s-1 (0.000000278 s-1) and an estimated half-life of 28.9 days at 25 °C was reported.

The hydrolysis potential of Benzenepropanoic acid, 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxy-2 -ethylhexylester (CAS 144429 -84 -5) was determined according to OECD Guideline 111 (Woolley and Mullee, 2007). Again, three buffer solutions were prepared for pH4, 7 and 9. The concentration of the sample solution was determined by high performance liquid chromatography (HPLC). No rate constant could be determined at pH 4 and 7, whereby the half-live at 25 °C will be greater than 1 year. At pH 9 a rate constant of 0.000000528 s-1 (5.28 x 10^-7 s-1) is reported as well as a half-life of 15.2 days at 25 °C.

Henry´s Law constant / Distribution modelling

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

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