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Environmental fate & pathways

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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 Tris[4-(diethylamino)phenyl]methylium acetate (CAS no. 63157 -72 -2). The estimated half-life of Tris[4-(diethylamino)phenyl]methylium acetate was determined to be 2.9 and 0.29 years at pH 7.0 and 8.0 (at 25ᵒC) respectively, indicating that it is not hydrolysable.

Biodegradation in water

Estimation Programs Interface Suite was run to predict the biodegradation potential of the test compound  Tris[4-(diethylamino)phenyl]methylium acetate (CAS no. 61357 -72 -2) in 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 Tris[4-(diethylamino)phenyl]methylium acetate is expected to be not readily biodegradable.

Adsorption / desorption

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Tris[4-(diethylamino)phenyl]methylium acetate (CAS no. 63157 -72 -2) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Experimental study report, 2018). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipeting 4 microliter of test item and diluted with Acetonitile up to 10 ml. Thus, the test solution concentration was 447.6 mg/l. The pH of test substance was 8.7. 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-naphthol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, N,N-dimethylbenzamide, 3,5-dinitrobenzamide, Benzamide, phenanthrene having Koc value ranging from 1.25 to 4.09. The Log Koc value of test chemical Tris[4-(diethylamino)phenyl]methylium acetate was determined to be 1.364± 0.019 at 25°C. This log Koc value indicates that the substance Tris[4-(diethylamino)phenyl]methylium acetate has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

Additional information

Hydrolysis

HYDROWIN v2.00 program of Estimation Programs Interface prediction model was used to predict the hydrolysis half-life of test compound Tris[4-(diethylamino)phenyl]methylium acetate (CAS no. 63157 -72 -2). The estimated half-life of Tris[4-(diethylamino)phenyl]methylium acetate was determined to be 2.9 and 0.29 years at pH 7.0 and 8.0 (at 25ᵒC) respectively, indicating that it is not hydrolysable.

Biodegradation in water

Predicted data for the target compound Tris[4-(diethylamino)phenyl]methylium acetate (CAS no. 63157 -72 -2) and various supporting weight of evidence studies for its structurally and functionally similar read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction done using the Estimation Programs Interface Suite was run to predict the biodegradation potential of the test compound  Tris[4-(diethylamino)phenyl]methylium acetate (CAS no. 63157 -72 -2) in 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  Tris[4-(diethylamino)phenyl]methylium acetate is expected to be not readily biodegradable.

 

In a supporting weight of evidence study from study report (2018),28-days Closed Bottle test following the OECD guideline 301 D to determine the ready biodegradability of the test item. The study was performed at a temperature of 20°C. The test system included control, test item and reference item. Polyseed were used for this study. 1 polyseed capsule were added in 500 ml D.I water and then stirred for 1 hour for proper mixing and functioning of inoculum. This gave the bacterial count as 107 to 108 CFU/ml. At the regular interval microbial plating was also performed on agar to confirm the vitality and CFU count of microorganism. The concentration of test and reference item (Sodium Benzoate) chosen for both the study was 4 mg/L, while that of inoculum was 32 ml/l. OECD mineral medium was used for the study. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % degradation was calculated using the values of BOD and ThOD for test item and reference item. The % degradation of procedure control (reference item) was also calculated using BOD & ThOD and was determined to be 73.49%. Degradation of Sodium Benzoate exceeds 31.32% on 7 days & 49.39% on 14th day. The activity of the inoculum is thus verified and the test can be considered as valid. The BOD35 value of test chemical was observed to be 0.52 mgO2/mg. ThOD was calculated as 2.31 mgO2/mg. Accordingly, the % degradation of the test item after 28 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 22.51%. Based on the results, the test item, under the test conditions, was not readily biodegradable in nature.

 

For the test chemical,Biodegradation study was conducted for evaluating the percentage biodegradability of test substance(Toshihide Saito et. al., 1984). Activated sludge was used as a test inoculum obtained from municipal sewage. Test substance of conc. 500 mg/l was prepared and diluted as needed. The COD measurement was performed by the potassium dichromate reflux method based on Japanese Industrial Standards. In the BOD measurement, a sample solution was taken into a container. Then JIS-BOD testing solutions, i.e. 3 ml of A solution and 1 ml of B, C, D solutions were added to the sample solution, respectively. Then 5 ml of the supernatant of the municipal sewage activated sludge was added to the sample solution and diluted to 300 ml with water. Immediately, the BOD-time curve was recorded at 20~ using an Ohkura OM-200I type coulometer. The TOC measurement was carried out by a Yanagimoto TOC-ILW.BOD5, COD, ThOD and TOC value of the test chemical was determined to be 0.038, 1.73, 2.88 and 0.50 g/g, respectively. The BOD5/TOC ratio of test chemical was determined to be 0.08 (i.e. ranges in between 0.08-0.89), indicating that the test chemical is highly resistant to aerobic biodegradation. Thus, based on this value BOD5/TOC value, it can be concluded that test chemical is not readily biodegradable in nature.

 

In a supporting weight of evidence study from peer reviewed journal (H. Heukelekian et. al., 1955),Biodegradation experiment was conducted for 5 days for evaluating the percentage biodegradability of test substance using standard dilution method under aerobic conditions at a temperature of 20°C. Sewage was used as a test inoculum. The 5 day BOD value of test chemical was determined to be 0 g/g. Thus, based on this value, test chemical is considered to be not readily biodegradable in nature.

 

On the basis of above results for target chemical Tris[4-(diethylamino)phenyl]methylium acetate (from modelling database, 2018), it can be concluded that the test substance Tris[4-(diethylamino)phenyl]methylium acetate can be expected to be not readily biodegradable in nature.

Adsorption / desorption

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Tris[4-(diethylamino)phenyl]methylium acetate (CAS no. 63157 -72 -2) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Experimental study report, 2018). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipeting 4 microliter of test item and diluted with Acetonitile up to 10 ml. Thus, the test solution concentration was 447.6 mg/l. The pH of test substance was 8.7. 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-naphthol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, N,N-dimethylbenzamide, 3,5-dinitrobenzamide, Benzamide, phenanthrene having Koc value ranging from 1.25 to 4.09. The Log Koc value of test chemical Tris[4-(diethylamino)phenyl]methylium acetate was determined to be 1.364± 0.019 at 25°C. This log Koc value indicates that the substance Tris[4-(diethylamino)phenyl]methylium acetate has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.