Registration Dossier
Registration Dossier
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EC number: 203-908-7 | CAS number: 111-79-5
Endpoint summary
Administrative data
Description of key information
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 methyl (2E)-non-2-enoate (CAS No. 111 -79 -5). The estimated half-life of methyl (2E)-non-2-enoate was estimated to be 2.348 yrs and 23.480 yrs at pH 8.0 & 7.0, respectively (at 25 deg C), indicating that it is not hydrolysable.
Additional information
Hydrolysis
Predicted data for the target chemical methyl (2E)-non-2-enoate (CAS No. 111-79-5) 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) was used to predict the hydrolysis half-life of test compound methyl (2E)-non-2-enoate (CAS No. 111 -79 -5). The estimated half-life of methyl (2E)-non-2-enoate was estimated to be 2.348 yrs and 23.480 yrs at pH 8.0 & 7.0, respectively (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 Methyl Octanoate (CAS no. 111-11-5), the half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the read across chemical Methyl Octanoate. The second order hydrolysis rate constant of Methyl Octanoate was determined to be 0.063 L/mol-sec with a corresponding half-lives of 3.3 yrs and 121 days at pH 7 and 8, respectively. Based on the half-life values, it is concluded that the chemical Methyl Octanoate is not hydrolysable.
For theread across substance Hexyl acetate (CAS no. 142-92-7), the half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the read across chemical Hexyl acetate. The second order hydrolysis rate constant of Hexyl acetate was determined to be 0.10L/mol-sec with a corresponding half-lives of 2.1 yrs and 78 days at pH 7 and 8, respectively. Based on the half-life values, it is concluded that the chemical Hexyl acetate is not hydrolysable.
On the basis of the above results for target chemical methyl (2E)-non-2-enoate (fromEPI Suite, 2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the target chemical methyl (2E)-non-2 -enoate is not hydrolysable.
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