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Hydrolysis

HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model was used to predict the hydrolysis half-life of test compound 2-phenylethyl 2-hydroxy benzoate (CAS No. 87 -22 -9). The estimated half-life of 2-phenylethyl 2-hydroxybenzoate was estimated to be 4.717 years at pH 7.0 and 172.299 days at pH 8.0 (at 25 deg C), indicating that it is not hydrolysable.

Additional information

Hydrolysis

Predicted data for the target chemical 2-phenylethyl 2-hydroxybenzoate (CAS No. 87-22-9) and supporting weight of evidence studies from authoritative database for its read across substance were reviewed for the hydrolysis end point which are summarized as below:

 

In aprediction done using the HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model was used to predict the hydrolysis half-life of test compound 2-phenylethyl 2-hydroxybenzoate (CAS No. 87 -22 -9). The estimated half-life of 2-phenylethyl 2-hydroxybenzoate was estimated to be 4.717 years at pH 7.0 and 172.299 days at pH 8.0 (at 25 deg C), indicating that it is not hydrolysable.

 

In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical Acetic acid, phenylmethyl ester (CAS no. 140-11-4), the half-life of the read across chemical Acetic acid, phenylmethyl ester was determined using an estimated pseudo-first order hydrolysis rate constant of 0.00000021/sec. The half-life of Acetic acid, phenylmethyl ester was determined to be 38 days at pH 7 and a temperature of 25°C, respectively. Based on the half-life values, it is concluded that the chemical Acetic acid, phenylmethyl ester is not hydrolysable.

 

For the another read across chemical 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester (CAS no. 85-68-7), the half-life and base catalyzed second order hydrolysis rate constant wa determined using a structure estimation method of the read across chemical 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester. The second order hydrolysis rate constant of 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester was determined to be 0.16L/mol-sec with a corresponding half-lives of 1.4 yrs and 51 days at pH 7 and 8, respectively. Based on the half-life values, it is concluded that the chemical 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester is not hydrolysable.

 

On the basis of the above results for target chemical 2-phenylethyl 2-hydroxybenzoate (fromEPI Suite, 2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the target chemical 2-phenylethyl 2-hydroxybenzoate is not hydrolysable.