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EC number: 229-227-5 | CAS number: 6441-82-3
Endpoint summary
Administrative data
Description of key information
Hydrolysis:
Hydrolysis of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride (6441 -82 -3) was predicted using OECD QSAR toolbox version 3.3 (2017). The estimated half-life of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride was estimated to be 147.8 days, indicating that 2-[2-[4- [(2-chloroethyl)- ethylamino]-o-tolyl]vinyl]-1 ,3,3-trimethyl-3H-indolium chloride was non hydrolysable.
Additional information
Hydrolysis:
Various predicted and experimental data for the target compound 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]- 1,3,3-trimethyl-3H-indolium chloride (CAS No. 6441 -82 -3) and supporting weight of evidence studies for its closest read across substance with logKow as the primary descriptor were reviewed for the hydrolysis end point which are summarized as below:
In the first weight of evidence study, hydrolysis of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride (6441 -82 -3) was predicted using OECD QSAR toolbox version 3.3 (2017). The estimated half-life of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride was estimated to be 147.8 days, indicating that 2-[2-[4- [(2-chloroethyl)- ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride was non hydrolysable.
Similarly second study was conducted on the read across chemical which was selected on the basis of logKow as the primary descriptor. Chemical 1,2,3-Trichloropropane (96-18-4) from authoritative database study was conducted for the estimation of hydrolysis rate constant and Half-life of hydrolysis at pH 7 of test chemical 1,2,3-Trichloropropane by base catalyzed first order reaction and structure estimation method. The hydrolysis rate constant of chemical 1,2,3-Trichloropropane was 1.8X10-6 /h based on the first order reaction. The half-life of hydrolysis obtained at pH 7 was 44 years. Since half-life of hydrolysis at pH is more than 10 days so it is concluded that test chemical 1,2,3-Trichloropropane was non hydrolyzing.
Similarly thirdstudy was conducted on another read across chemical 1,2-Dibromethan (106-93-4) which was selected on the basis of logKow as the primary descriptor. To estimate hydrolysis rate constant and Half-life of hydrolysis at pH 7 of test chemical 1,2-Dibromethan at 60degree C. The aqueous hydrolysis rate constant for ethylene dibromide was measured at pH 7 to be 0.00187/hr at 60 deg C. The half-life of 1,2-Dibromethan obtained at pH 7 was 15.44 days. Since half-life of hydrolysis at pH 7 is more than 10 days so it is concluded that test chemical 1,2-Dibromethan was non hydrolyzing.
Thus based on the above data for the target chemical and read across chemical it was concluded that the chemical was not hydrolysable as it exceeds the half-life of at pH 7 is more than 10 days.
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