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Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Biodegradation:

Biodegradation in water:

Biodegradability of test chemical is predicted using OECD QSAR tool box v.3.4 using log Kow as primary descriptor. The test chemical N,N,N-triethylethanaminium chloride undergoes 75.69 % degradation by taking microorganisms as inoculum and considering BOD as parameter in 28 days. Thus based on perccent biodegradability it is concluded that test chemical N,N,N-triethylethanaminium chloride is readily biodegrdable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound  N,N,N-triethylethanaminium chloride (CAS No.56 -34 -8). If released in to the environment, 19.6 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical N,N,N-triethylethanaminium chloride in water is estimated to be 15 days (360 hrs). The half-life ( 15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of test chemical N,N,N-triethylethanaminium chloride in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.108 %), indicates that test chemical N,N,N-triethylethanaminium chloride is not persistent in sediment.

Biodegradation in Soli:

The half-life period of test chemical N,N,N-triethylethanaminium chloride (CAS No.56-34-8) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 80.3 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical N,N,N-triethylethanaminium chloride in soil is estimated to be 30 days ( 720 hrs). Based on this half-life value of test chemical N,N,N-triethylethanaminium chloride, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low .

Bioaccumulation:

Bioaccumulation : aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for N,N,N-triethylethanaminium chloride (CAS No. 56-34-8) 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 N,N,N-triethylethanaminium chloride is non bioaccumulative in food chain.

Transport and distribution:

Adsorption/desorption:

The Soil Adsorption Coefficient i.e. Koc value of test chemical N,N,N-triethylethanaminium chloride (CAS No. 56-34-8) was estimated using EPI suite KOCWIN Program (v2.00) as 91.32 L/kg (log Koc= 1.9606) by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical N,N,N-triethylethanaminium chloride has low sorption to soil and therefore have moderate migration potential to ground water.

Additional information

Biodegradation:

Biodegradation in water:

Predicted data for target compound N,N,N-triethylethanaminium chloride (CAS no. 56-34-8) and supporting weight of evidence studies for its closest read across chemicals with log Kow as a primary descriptor were reviewed for the biodegradation endpoint which are summarized as below.

Biodegradability of test chemical N,N,N-triethylethanaminium chloride (CAS no. 56-34-8) is predicted using OECD QSAR tool box v.3.4 using log Kow as primary descriptor. The test chemical N,N,N-triethylethanaminium chloride undergoes 75.69 % degradation by taking microorganisms as inoculum and considering BOD as parameter in 28 days. Thus based on percent biodegradability it is concluded that test chemical N,N,N-triethylethanaminium chloride is readily biodegradable.

Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound N,N,N-triethylethanaminium chloride (CAS no. 56-34-8) 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 N,N,N-triethylethanaminium chloride is expected to be readily biodegradable.

In a supporting weight of evidence study from authoritative database (J check, 2017) the Biodegradation experiment was carried out of read across chemical (2 - Hydroxyethyl) trimethylammonium chloride (CAS no. 67-48-1) by taking activated sludge as inoculums at 30 mg/L concentration for 14 days. Biodegradation was analyzed by using three parameters that are O2 consumption (BOD), TOC removal and test material analysis by UV-vis .The initial concentration of read across chemical was 100 mg/L. After 2 weeks of incubation percent biodegradation of read across chemical (2 - Hydroxyethyl) trimethylammonium chloride was observed to be 93.5 % by O2 consumption ( BOD) parameter 100 % degradation by other two parameters TOC removal and test material analysis by UV vis parameter in 14 days. Therefore it is concluded that read across chemical (2 - Hydroxyethyl) trimethylammonium chloride is readily biodegradable.

In another supporting weight of evidence study from same source as mentioned above ( J Check, 2017) of read across chemical Methanaminium, N,N,N-trimethyl-, hydroxide (CAS no. 75-59-2) biodegradation experiment was carried out by taking activated sludge as inoculums at 30 mg/L concentration. Biodegradation was analyzed by using three parameters that are BOD (NH3), TOC and HPLC. The initial concentration of read across chemical was 100 mg/L and study design was of standard type. After two weeks (14 days) of incubation read across chemical Methanaminium, N,N,N-trimethyl-, hydroxide undergoes 96 % degradation by BOD ( NH3) parameter, 98 % degradation TOC parameter and 100% degradation by HPLC parameter. Thus based on percent biodegradability it is concluded that read across chemical Methanaminium, N,N,N-trimethyl-, hydroxide is readily biodegradable.

On the basis of above results for target chemical N,N,N-triethylethanaminium chloride (CAS no. 56-34-8) from (OECD QSAR tool box v3.3 2017 and EPI suite 2017) and for its read across substances (authoritative database) the target chemical N,N,N-triethylethanaminium chloride expected to be readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound  N,N,N-triethylethanaminium chloride (CAS No.56 -34 -8). If released in to the environment, 19.6 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical N,N,N-triethylethanaminium chloride in water is estimated to be 15 days (360 hrs). The half-life ( 15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of test chemical N,N,N-triethylethanaminium chloride in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.108 %), indicates that test chemical N,N,N-triethylethanaminium chloride is not persistent in sediment.

Biodegradation in Soli:

The half-life period of test chemical N,N,N-triethylethanaminium chloride (CAS No.56-34-8) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 80.3 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical N,N,N-triethylethanaminium chloride in soil is estimated to be 30 days ( 720 hrs). Based on this half-life value of test chemical N,N,N-triethylethanaminium chloride, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low .

Bioaccumulation:

Bioaccumulation : aquatic/sediments:

Predicted data from two different sources for the target compound N,N,N-triethylethanaminium chloride (CAS no. 56-34-8) and supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:

In a prediction done by using BCFBAF Program (v3.00) model of EPI suite 2017( Estimation Program Interface) the estimated bio concentration factor (BCF) for N,N,N-triethylethanaminium chloride (CAS No. 56-34-8) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000.

Another prediction done by using Bio-concentration Factor (v12.1.0.50374) module of (ACD (Advanced Chemistry Development)/I-Lab predictive module to estimateBio-concentration Factor at range pH 1-14 of the chemical N,N,N-triethylethanaminium chloride (CAS no.56-34-8). Bio-concentration Factor over the entire pH scale of the test substance N,N,N-triethylethanaminium chloride(CAS no.56-34-8) estimated to be 1.0 dimensionless.

Last prediction done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical)  the bioaccumulation i.e BCF for test substance N,N,N-triethylethanaminium chloride (CAS no. 56-34-8) was estimated to be 14.2 dimensionless it is based on the 5 OECD principles. Thus based on the result it is concluded that the test substance N,N,N-triethylethanaminium chloride is non-bioaccumulative in nature, because the bioconcentration factor in fish is less than 2000.

 

In supporting weight of evidence study from authoritative database ( J check, 2017) Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across chemical N,N,N,triethylamine (CAS no 121-44-8) on test organism Cyprinus carpio. Recovery ratio used was Test water at 1st concentration area : 87.8 % and at 2nd concentration area : 91.0 %, Fish : 71.5 %, and Limit of detection of Test water was at 1st concentration area : 0.023 microg/mL, 2nd concentration area : 0.0022 microg/mL, Fish : 0.24 microg/g. Nominal concentrations used was 1st Concentration area: 0.5 mg/L (w/v), 2nd Concentration area: 0.05 mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) LC50(48h) 50.7 mg/L. The lipid content of fish at start of exposure was 3.9 %.Thus according to static Fish test the BCF value for N,N,N,triethylamine was observed to be ≤ 0.5 L/kg at dose concentration 0.5 mg/L and ≤ 4.9 L/kg at dose concentration 0.05 mg/L on test organism Cyprinus carpio during 6 weeks period. 

Another supporting weight of evidence study from authoritative database Hazardous Substance databank (HSDB, 2017) BCF value of read across chemical Ethyldimethylamine (CAS no. 598-56-1) estimated was 3.0 dimensionless by using log Kow of 0.70 and regression derived equation and it is far less than 2000 criteria so it is concluded that read cross chemical Ethyldimethylamine is non bioaccumulative.

 

On the basis of above results for target chemical N,N,N-triethylethanaminium chloride (CAS no. 56 -34 -8) (from EPI suite, ACD lab and CompTox Chemistry Dashboard, 2017) and for its read across substances (from authoritative database HSDB and J Check, 2017) , it can be concluded that the BCF value of test substance N,N,N-triethylethanaminium chloride ranges from 3.162 to 14.2 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical N,N,N-triethylethanaminium chloride is expected to be non-bioaccumulative in the food chain.

Transport and distribution:

Adsorption/desorption:

Predicted data for target chemical N,N,N-triethylethanaminium chloride (CAS no. 56-34 -8) and supporting weight of evidence studies for its read across chemical were reviewed for adsorption endpoint and their results were summarized below.

 

The Soil Adsorption Coefficient i.e. Koc value of test chemical N,N,N-triethylethanaminium chloride (CAS No. 56-34-8) was estimated using EPI suite (Estimation Program Interface, 2017) KOCWIN Program (v2.00) as 91.32 L/kg (log Koc= 1.9606) by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical N,N,N triethylethanaminium chloride has low sorption to soil and therefore have moderate migration potential to ground water.

Another predicted soil adsorption coefficient i.e Koc value of test substance N,N,N-triethylethanaminium chloride (CAS no. 56-34-8) was estimated using Adsorption Coefficient module (v12.1.0.50374) program of(ACD (Advanced Chemistry Development)/I-Lab predictive moduleas Koc 1.0 dimensionless (log Koc= 0.0). This log Koc value indicates that the test substance N,N,N-triethylethanaminium chloride has a negligible sorption to soil and therefore have rapid migration potential to groundwater.

In a supporting weight of evidence study from Hazardous Substance Databank ( HSDB,2017) the Koc value for read across chemical N,N,N,triethylamine (CAS no.121-44-8) was estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value was 51 dimensionless and log Koc is 1.7075 this log Koc value suggests that N,N,N,triethylamine is expected to have low sorption to soil and sediment and therefore have moderate migration potential to ground water.

In another supporting weight of evidence study from same source as mentioned above (HSDB, 2017) the Koc value for read across chemical Ethyldimethylamine (CAS no. 598-56-1) was estimated by using a log Kow of 0.70 and a regression-derived equation. The estimated Koc value is 60 dimensionless and log Koc is 1.7781 this log Koc value suggests that Ethyldimethylamine is expected to have low sorption to soil and sediment and therefore have moderate migration potential to ground water.

On the basis of above results for target chemical N,N,N-triethylethanaminium chloride (CAS no. 56 -34 -8) (from EPI suite and ACD lab, 2017), and for its read across chemical ( From HSDB, 2017) it can be concluded that the Koc value of test substance N,N,N-triethylethanaminium chloride ranges from 1.0 to 91.32 dimensionless and log koc ranges from 0.0 to 1.9606 indicating that the test chemical N,N,N-triethylethanaminium chloride has negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to groundwater..