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EC number: 406-040-9 | CAS number: 125643-61-0
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Administrative data
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Additional information
Hydrolysis:
Butyl 3.5-bis(1.1-dimethylethyl)-4-hydroxybenzenepropanoate (CAS 52449-44-2) was investigated in accordance with Method C7 of Commission Directive 92/69/EEC (O´Connor, 2000). The substance was found to be stable against hydrolysis at pH 4 and pH 7 at 25 °C (half-life greater than 1 year). At pH 9 the half-life at 25 °C was estimated as 28.9 days with a rate constant of 0.000000278 s-1. Also Benzenepropanoic acid, 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxy-2 -ethylhexylester (CAS 144429-84-5) was found to be stable against hydrolysis at pH 4 and pH 7 at 25 °C (half-life greater than 1 year). At pH 9 the half-life at 25 °C was estimated as 15.2 days with a rate constant of 0.000000528 s-1 (OECD Guideline 111, Woolley and Mullee, 2007).
Biodegradation:
Benzenepropanoic acid, 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxy-C7 -9 branched alkyl esters (CAS 125643-61-0) is considered to be not readily biodegradable (EPIWIN prediction, Chemservice S.A., 2011). Butyl 3,5 -bis(1,1-dimethylehtyl)-4- hydroxybenzenepropanoate (CAS 52449-44-2) is neither readily (Mead, 2000) nor inherently biodegradable (Furukawa, 2001). Benzenepropanoic acid 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxy-2 -ethylhexylester (CAS 144429-84-5) met the criteria for inherent and primary degradability conditions (Zhang, 2009).
Soil sorption:
Benzenepropanoic acid, 3,5 -bis(1,1-dimethylethyl)-4 -hydroxy-C7-9 branched alkyl esters (CAS 125643-61-0) was investigated in HPLC experiments at 40 °C (Walker and Mullee, 2007) and at 30 °C (Wolley and Mullee, 2006). The adsorption coefficients were measured as 4.08 and greater than 427000, respectively.
Additionally, the Koc of 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) were determined by HPLC analysis. Koc values of 1.70 x 10E4 (logKoc of 4.23) (O´Connor, 2000) and greater than 4.27 x 10E5 (logKoc > 5.63) (Woolley and Mullee, 2007) were determined, respectively.
Aquatic bioaccumulation:
For Benzenepropanoic acid, 3,5 -bis(1,1-dimethylethyl)-4 -hydroxy-C7-9 branched alkyl esters (CAS 125643-61-0) a moderate potential to bioaccumulate in aquatic organisms was predicted by the QSAR Toolbox (Chemservice S.A., 2011), whereas only a slight bioaccumulation potential was found for the read-across substance Butyl 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxybenzenepropanoate (CAS 52449-44-2) (Mino, 2002).
Terrestrial bioaccumulation:
In an earthworm study with Eisenia fetida it was reported that the substance Butyl 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxybenzenepropanoate (CAS 52449-44-2) will not accumulate in the test species due to the fact that it will be degraded before before the accumulation of the test substance into the organisms (Schmidt, 2010).
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