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Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Biodegradation in water:

Estimation Programs Interface Suite (EPI suite, 2018) was run to predict the biodegradation potential of the test compound 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320 -14 -5) 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 Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical  2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride is expected to be not readily biodegradable.

Bioaccumulation:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride  (CAS No. 6320-14-5) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride  is non bioaccumulative in food chain.

Adsorption/desorption:

The test chemical  2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) showed 92.2 % adsorption on pretreated sewage sludge in 2 hrs. On the basis of percentage adsorption value it can be concluded that test chemical is expected to show very strong sorption to soil and sediment.

Additional information

Biodegradation in water:

Predicted data study for target chemical -[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320 -14 -5) and experimental study for its structurally similar read across chemical have been reviewed for biodegradation in water endpoint and their results are summarized below.

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 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320 -14 -5) 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 Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical  2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride is expected to be not readily biodegradable.

Predicted data study was supported by experimental study which is reviewed from 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.

On the basis of both the studies mentioned above it is concluded that test chemical -[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320 -14 -5) is expected to be not readily biodegradable.

Bioaccumulation:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride  (CAS No. 6320-14-5) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride  is non bioaccumulative in food chain.

Adsorption/desorption:

Experimental data and predicted data studies have been reviewed for adsorption endpoint for target chemical  2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) and their results are summarized below.

 

In an experimental data study the adsorption experiment was carried to determine percentage adsorption of test chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) on sewage sludge. Sewage sludge was used as matrix (biosorbent) obtained from sewage treatment plant, Pholriwal, Jalandhar (India). Matrix was pretreated in this treatment 20.0 g of dry sludge was treated with 100 mL of 1 M H2SO4. This pretreatment helped in removing excess of urea and hydrogen sulphide gas.

The sludge was allowed to stand in acid overnight. This was then separated by filtration. The residue was washed with deionized water several times till the washing attained neutral pH.  The water was drained off and sludge was dried in hot air oven at 80°C for 24 h. The dried material was ground to a fine powder in an electrical grinder. This was then passed through a mesh screen to get particles < 500 μm size. This was then stored in air tight container for further use. The experiments were conducted by taking 50 mL of test chemical solution in Erlenmeyer flask and adding required amount of biosorbent in that. The pH of different solutions was adjusted. The biosorbent dose was varied from 2.5 g/L to 20.0 g/L. The solutions were kept in incubator shaker at 303 K.The batch adsorption experiments show that the adsorption of test chemical over sewage sludge is dependent on pH, amount of adsorbent, concentration, contact time, and temperature, and almost 92.5% could be accomplished at low concentrations, whereas at higher concentrations, the adsorption was slightly decreased to 90%. Freundlich and Langmuir parameters for adsorption of test chemical over sewage sludge at different temperatures and their coefficients are also determined which is given in table1. On the basis of percentage adsorption value it can be concluded that test chemical is expected to show very strong sorption to soil and sediment.

 

Above experimental study was supported by predicted data in this study the Soil Adsorption Coefficient i.e. Koc value of test chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS No. 6320-14-5) was estimated using EPI suite KOCWIN Program (v2.00) as 12.5 L/kg (log Koc= ) by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride has very strong sorption to soil and therefore test chemical has negligible migration potential to ground water.

 

On the basis of both the studies mentioned above it is concluded that test chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is expected to show strong sorption to soil and sediment and therefore has negligible migration potential to ground water.