Reaction mass of 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- and acetate

Endpoint summary

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 Reaction mass of 3H-Indolium, 2-[[2-(4 -methoxyphenyl)-2 -methylhydrazinylidene]methyl]-1,3,3 -trimethyl- & acetate. The estimated half-life of Reaction mass of 3H-Indolium, 2 -[[2 -(4 -methoxyphenyl)-2 -methylhydrazinylidene]methyl]-1,3,3 -trimethyl- & 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 Reaction mass of 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate is not hydrolysable.

Biodegradation:

Biodegradation in water:

Estimation Programs Interface Suite (EPI suite, 2018) was run to predict the biodegradation potential of the test compound   Reaction mass of 3H-​Indolium, 2-​[[2-​(4-​methoxyphenyl)​-​2-​methylhydrazinyliden​e]​methyl]​-​1,​3,​3-​trimethyl-​ & acetatein the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical Reaction mass of 3H-​Indolium, 2-​[[2-​(4-​methoxyphenyl)​-​2-​methylhydrazinyliden​e]​methyl]​-​1,​3,​3-​trimethyl-​ & acetateis expected to be not readily biodegradable.

Adsorption

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Reaction mass of 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Experimental report, 2018). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipetting 4 microliter of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 440 mg/l. The pH of test substance was 7.8. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were Acetanilide, 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5 -Dichloroaniline, 4-nitrophenol, 2 - nitrophenol, 2 -nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphtol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3 -trichlorobenzene, Pentachlorophenol, 3,5-dinitrobenzamide, Benzamide, phenanthrene having Koc value ranging from 1.25 to 4.09. The Log Koc value of test chemical Reaction mass of 3H-Indolium, 2 -[[2 -(4 -methoxyphenyl)-2 -methylhydrazinyli dene]methyl]-1,3,3 -trimethyl- & acetate was determined to be 1.281± 0.013 at 25°C. This log Koc value indicates that the substance Reaction mass of 3H-Indolium, 2 -[[2 -(4 -methoxyphenyl) -2 -methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

Additional information

Hydrolysis

Predicted data for the target chemical Reaction mass of 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetateand 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 Reaction mass of 3H-Indolium, 2-[[2-(4 -methoxyphenyl)-2 -methylhydrazinylidene]methyl]-1,3,3 -trimethyl- & acetate. The estimated half-life of Reaction mass of 3H-Indolium, 2 -[[2 -(4 -methoxyphenyl)-2 -methylhydrazinylidene]methyl]-1,3,3 -trimethyl- & 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 Reaction mass of 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & 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 Reaction mass of 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate(from modelling database, 2017), it can be concluded that the target chemical Reaction mass of 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate is not hydrolysable.

Biodegradation:

Biodegradation in water:

Predicted data study for target chemical Reaction mass of 3H-​Indolium, 2-​[[2-​(4-​methoxyphenyl)​-​2-​methylhydrazinyliden​e]​methyl]​-​1,​3,​3-​trimethyl-​ & acetate and experimental studies for its structurally similar read across chemical have been reviewed for biodegradation endpoint and their results are summarized below.

 

The first study was predicted data study in this study the Estimation Programs Interface Suite (EPI suite, 2018) was run to predict the biodegradation potential of the test compound    Reaction mass of 3H-​Indolium, 2-​[[2-​(4-​methoxyphenyl)​-​2-​methylhydrazinyliden​e]​methyl]​-​1,​3,​3-​trimethyl-​ & acetatein the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical  Reaction mass of 3H-​Indolium, 2-​[[2-​(4-​methoxyphenyl)​-​2-​methylhydrazinyliden​e]​methyl]​-​1,​3,​3-​trimethyl-​ & acetate is expected to be not readily biodegradable.

 

Next study was experimental study done from chemosphere journal in this study the aerobic biodegradation experiment was performed for test chemical using activated sludge at concentration 0.5 g/L dry material as inoculums and initial concentration of chemical taken was 100 mg/L for 42 days. By considering DOC removal parameter test chemical showed 16 % degradation in 42 days. The test chemical belongs to D category according to table 1 and 2 as its limit value falls in that range.

This percentage value is very less therefore it is concluded that test chemical is not readily biodegradable.

 

Last study was also experimental study reviewed from authoritative database (2018) in this study the test chemical was subjected to biodegradation test by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analyzed by using BOD and HPLC parameter. The initial concentration of test chemical was 100 mg/L and study design is of standard type. After 4 weeks (28 days) test chemical showed 0% biodegradation by BOD and 4% by HPLC parameter so it is concluded that test chemical is not readily biodegradable.

 BY considering results of all above mentioned studies it can be concluded that test chemical Reaction mass of 3H-​Indolium, 2-​[[2-​(4-​methoxyphenyl)​-​2-​methylhydrazinyliden​e]​methyl]​-​1,​3,​3-​trimethyl-​ & acetate is not readily biodegradable in nature.

Adsorption

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Reaction mass of 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Experimental report, 2018). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipetting 4 microliter of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 440 mg/l. The pH of test substance was 7.8. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were Acetanilide, 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5 -Dichloroaniline, 4-nitrophenol, 2 - nitrophenol, 2 -nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphtol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3 -trichlorobenzene, Pentachlorophenol, 3,5-dinitrobenzamide, Benzamide, phenanthrene having Koc value ranging from 1.25 to 4.09. The Log Koc value of test chemical Reaction mass of 3H-Indolium, 2 -[[2 -(4 -methoxyphenyl)-2 -methylhydrazinyli dene]methyl]-1,3,3 -trimethyl- & acetate was determined to be 1.281± 0.013 at 25°C. This log Koc value indicates that the substance Reaction mass of 3H-Indolium, 2 -[[2 -(4 -methoxyphenyl) -2 -methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.