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Hydrolysis

HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2018) prediction model was used to predict the hydrolysis half-life of test compound (1R-(1alpha,2alpha,5beta,8beta))-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecanyl acetate (CAS No. 57082 -24 -3). The estimated half-life of (1R-(1alpha,2alpha,5beta,8beta))-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecanyl acetate was evaluated to be 6.497 yrs at pH 7.0 and 237.292 days at pH 8.0 (at 25ᵒC) respectively, indicating that it is not hydrolysable.

Additional information

Hydrolysis

Predicted data for the target chemical (1R-(1alpha,2alpha,5beta,8beta))-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecanyl acetate (CAS No. 57082-24-3) and supporting study from authoritative database for its read across substance were reviewed for the hydrolysis end point which are summarized as below:

 

In a prediction done using the HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2018) prediction model was used to predict the hydrolysis half-life of test compound (1R-(1alpha,2alpha,5beta,8beta))-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecanyl acetate (CAS No. 57082 -24 -3). The estimated half-life of (1R-(1alpha,2alpha,5beta,8beta))-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecanyl acetate was evaluated to be 6.497 yrs at pH 7.0 and 237.292 days at pH 8.0 (at 25ᵒC) respectively, indicating that it is not hydrolysable.

 

For the read across chemical 1,1-dimethylethyl ester, acetic acid (CAS no. 540-88-5), the half-life and acid & base catalyzed hydrolysis rate constant of the test chemical 1,1-dimethylethyl ester, acetic acid (CAS no. 540-88-5) was determined at a temperature of 20°C (HSDB, 2017). The acid and based catalyzed hydrolysis rate constant of 1,1-dimethylethyl ester, acetic acid was determined to be 12600 & 0.0015 L/mol-sec, respectively with a corresponding half-lives of 135, 14.6 and 1.5 years at pH 7, 8 and 9, respectively. Based on the half-life values, it is concluded that the chemical 1,1-dimethylethyl ester, acetic acid is not hydrolysable.

 

On the basis of the above results for target chemical (1R-(1alpha,2alpha,5beta,8beta))-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecanyl acetate(from EPI suite, 2018) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the target chemical (1R-(1alpha,2alpha,5beta,8beta))-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecanyl acetate is not hydrolysable.