Registration Dossier
Registration Dossier
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EC number: 254-898-6 | CAS number: 40379-24-6
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 7-methyloctyl acetate (CAS No. 40379 -24 -6). The estimated half-life of 7-methyloctyl acetate was estimated to be 2.142 years at pH 7.0 and 78.232 days at pH 8.0 (at 25 deg C), indicating that it is not hydrolysable.
Additional information
Hydrolysis:
Predicted data for the target chemical 7-methyloctyl acetate (CAS No. 40379 -24 -6) and various 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 a prediction 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 7-methyloctyl acetate (CAS No. 40379 -24 -6). The estimated half-life of 7-methyloctyl acetate was estimated to be 2.142 years at pH 7.0 and 78.232 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 3-methyl-1-butyl acetate (CAS no. 123-92-2), the half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the read across chemical 3-methyl-1-butyl acetate. The second order hydrolysis rate constant of 3-methyl-1-butyl acetate was determined to be 0.1L/mol-sec with a corresponding half-lives of 2 yrs and 78 days at pH 7 and 8, respectively.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical 2-methylpropyl 2-methylprop-2-enoate (CAS no. 97-86-9), the half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the read across chemical 2-methylpropyl 2-methylprop-2-enoate. The second order hydrolysis rate constant of 2 -methylpropyl 2 -methylprop-2 -enoate was determined to be 0.018L/mol-sec with a corresponding half-lives of 130 and 13 yrs at pH 7 and 8, respectively.
On the basis of the above results for target chemical 7-methyloctyl acetate (CAS No. 40379 -24 -6) (from EPI Suite, 2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the test chemical 7-methyloctyl acetate is not hydrolysable.
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