Registration Dossier
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EC number: 204-567-7 | CAS number: 122-70-3
Endpoint summary
Administrative data
Description of key information
Hydrolysis
The half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the test chemical 2-phenylethyl propanoate (CAS no. 122-70-3) (HSDB, 2017). The second order hydrolysis rate constant of 2-phenylethyl propanoate was determined to be 0.13L/mol-sec with a corresponding half-lives of 1.7 yrs and 63 days at pH 7 and 8, respectively. Based on the half-life values, it is concluded that the chemical 2-phenylethyl propanoate is not hydrolysable.
Additional information
Hydrolysis
Experimental study and predicted data for the target chemical 2-phenylethyl propanoate (CAS No. 122-70-3) and various supporting studies from authoritative database for its read across substance were reviewed for the hydrolysis end point which are summarized as below:
In an experimental key study from authoritative database (HSDB, 2017), the half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the test chemical 2-phenylethyl propanoate (CAS no. 122-70-3). The second order hydrolysis rate constant of 2-phenylethyl propanoate was determined to be 0.13L/mol-sec with a corresponding half-lives of 1.7 yrs and 63 days at pH 7 and 8, respectively.
In a prediction 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 propanoate (CAS No. 122 -70 -3). The estimated half-life of 2-phenylethyl propanoate was estimated to be 63.780 d and 1.746 yrs at pH 8.0 & 7.0, respectively (at 25 deg C).
For the read across chemical benzyl (2E)-3-phenylprop-2-enoate (CAS no. 103-41-3), the half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the read across chemical benzyl (2E)-3-phenylprop-2-enoate. The second order hydrolysis rate constant of benzyl (2E)-3-phenylprop-2-enoate was determined to be 0.038 L/mol-sec with a corresponding half-lives of 6 yrs and 211 days at pH 7 and 8, respectively.
In a supporting study from authoritative database (HSDB, 2017) for the read across chemical benzyl acetate (CAS no. 140-11-4), the half-life of the read across chemical benzyl acetate was determined using an estimated pseudo-first order hydrolysis rate constant of 0.00000021/sec at a temperature of 25°C and pH 7.0, respectively. The half-life of benzyl acetate was determined to be 38 days at pH 7.
On the basis of the above results for target chemical 2 -phenylethyl propanoate (fromauthoritative database HSDB andEPI suite, 2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the chemical 2 -phenylethyl propanoate is not hydrolysable.
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