Registration Dossier
Registration Dossier
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EC number: 261-448-2 | CAS number: 58798-47-3
Endpoint summary
Administrative data
Description of key information
Hydrolysis
HYDROWIN v2.00 program of Estimation Programs Interface prediction model was used to predict the hydrolysis half-life of test compound 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate. The estimated half-life of 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate was determined to be 16.3 and 1.63 days at pH 7.0 and 8.0 (at 25ᵒC) respectively. Thus, based on the half-life value (16.3 days at pH 7.0), it indicates that chemical 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate is not hydrolysable.
Additional information
Hydrolysis
Predicted data for the target chemical 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate and supporting study from authoritative database for its structurally similar read across substance were reviewed for the hydrolysis end point which are summarized as below:
In a prediction done using theHYDROWIN v2.00 program of Estimation Programs Interface prediction model was used to predict the hydrolysis half-life of test compound 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate. The estimated half-life of 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate was determined to be 16.3 and 1.63 days at pH 7.0 and 8.0 (at 25ᵒC) respectively. Thus, based on the half-life value (16.3 days at pH 7.0), it indicates that chemical 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate is not hydrolysable.
For the test chemical from authoritative database (2017), the half-life and base catalyzed hydrolysis rate constant of the test chemical was estimated using structure estimation method. The based catalyzed hydrolysis rate constant of test chemical was determined to be 0.016 L/mol-sec, respectively with a corresponding half-lives of 13 and 1.3 years at pH 7 and 8, respectively. Based on the half-life values, it is concluded that test chemical is not hydrolysable.
On the basis of the above results for target chemical 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate (from modelling database, 2017), it can be concluded that the target chemical 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate is not hydrolysable.
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