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EC number: 238-936-9 | CAS number: 14866-33-2
Endpoint summary
Administrative data
Description of key information
Biodegradation:
Biodegradation in water:
Biodegrdability of test chemical Tetraoctylammonium Bromide ( CAS no. 14866 -33 -2) is predicted using OECD QSAR tool box v.3.4 using log Kow as primary descriptor. The test chemical Tetraoctylammonium Bromide undergoes 0.060 % percent biodegrdadation by taking BOD as parameter and by taking microorganisms as inoculum in 28 days. So it is concluded that the test chemical Tetraoctylammonium Bromide is not 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 Tetraoctylammonium Bromide (CAS No.14866-33-2). If released in to the environment, 4.85 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical Tetraoctylammonium Bromide 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 Tetraoctylammonium Bromide in sediment is estimated to be 135 days (3240 hrs). Based on this half-life value, it indicates that test chemical Tetraoctylammonium Bromide is persistent in sediment.
Biodegradation in Soil:
The half-life period of test chemical Tetraoctylammonium Bromide (CAS No. 14866-33-2) 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, 32.7 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical Tetraoctylammonium Bromide in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical Tetraoctylammonium Bromide, 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 in aquatic /sediments:
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for Tetraoctylammonium Bromide (CAS No.14866-33-2) is 70.79 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Tetraoctylammonium Bromide is non bioaccumulative in food chain.
Transport and Distribution:
Adsorption/Desorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical Tetraoctylammonium Bromide (CAS No. 14866-33-2) was estimated using EPI suite KOCWIN Program (v2.00) as 235200000 L/kg (log Koc= 8.3714) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical Tetraoctylammonium Bromide has very strong sorption to soil and therefore have negligible migration potential to ground water.
Additional information
Biodegradation:
Biodegradation in water:
Results of predicted data for target compound Tetraoctylammonium Bromide (CAS no. 14866-33-2) and supporting weight of evidence studies for its read across chemicals were reviewed for the biodegradation endpoint which is summarized below.
Biodegrdability of test chemical Tetraoctylammonium Bromide (CAS no. 14866-33-2) is predicted using OECD QSAR tool box v.3.4 using log Kow as primary descriptor. The test chemical tetraoctylammonium Bromide undergoes 0.060 % percent biodegrdadation by taking BOD as parameter and by taking microorganisms as inoculum in 28 days. So it is concluded that the test chemical Tetraoctylammonium Bromide is not readily biodegradable.
Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound Tetraoctylammonium Bromide (CAS no.14866-33-2) 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 Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical Tetraoctylammonium Bromide is expected to be not readily biodegradable.
In a supporting weight of evidence study done from authoritative database (J Check, 2017) the Biodegradation experiment was carried out of read across chemical N,N-dioctyl-1-octanamine (CAS no. 1116-76-3) by taking activated sludge as inoculums at 100 mg/L concentration for 14 days. Biodegradation was analyzed by using two parameters that are BOD and test material analysis by GC. The initial concentration of read across chemical was 30 mg/L. After 2 weeks of incubation percent biodegradation of read across chemical N,N-dioctyl-1-octanamine was observed 0.0 % by BOD parameter 12 % by test material analysis by GC parameter in 14 days. Therefore it is concluded that read across chemical N,N-dioctyl-1-octanamine is not readily biodegradable.
Another supporting weight of evidence study done from same source as mentioned above (J Check, 2017) for read across chemical Didecyl dimethyl ammonium chloride (CAS no. 7173-51-5). Biodegradation study was conducted for 28 days for evaluating the percent biodegradability of read across substance Didecyl dimethyl ammonium chloride. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)).Concentration of inoculum i.e., sludge used was 30 mg/l and initial read across substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 0% degradation byO2 consumption (BOD) and Test material analysis by LC-MS in 28 days. Thus, based on percentage degradation, Didecyl dimethyl ammonium chloride was considered to be not readily biodegradable in nature.
On the basis of above results for target chemicalTetraoctylammonium Bromide (CAS no.14866-33-2)(from OECD QSAR tool box and EPI suite, 2017) and for its read across substance (from authoritative database), it is concluded that the test substance Tetraoctylammonium Bromide is expected to be not readily biodegradable in nature.
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 Tetraoctylammonium Bromide (CAS No.14866-33-2). If released in to the environment, 4.85 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical Tetraoctylammonium Bromide 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 Tetraoctylammonium Bromide in sediment is estimated to be 135 days (3240 hrs). Based on this half-life value, it indicates that test chemical Tetraoctylammonium Bromide is persistent in sediment.
Biodegradation in Soil:
The half-life period of test chemical Tetraoctylammonium Bromide (CAS No. 14866-33-2) 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, 32.7 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical Tetraoctylammonium Bromide in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical Tetraoctylammonium Bromide, 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 in aquatic /sediments:
Predicted data from two different sources for the target compound Tetraoctylammonium Bromide (CAS No.14866-33-2) and supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which is summarized as below:
In a prediction done by using BCFBAF Program (v3.00) model of EPI suite (Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for Tetraoctylammonium Bromide (CAS No.14866-33-2) is 70.79 L/kg wet-wt at 25 deg. c .
Another prediction done by using Bio-concentration Factor (v12.1.0.50374) module of Advanced Chemistry Development/I-lab predictive model, the bio-concentration Factor of the test chemical Tetraoctylammonium Bromide (CAS no.14866-33-2) at range pH 1-14 was estimated to be 1461 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 Tetraoctylammonium Bromide (CAS no.14866-33-2) was estimated to be 56.3 dimensionless it is based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database ( J check, 2017) of read across chemical N,N-dioctyl-1-octanamine(CAS no 1116-76-3) bioaccumulation test was conducted for 8 weeks for determination the bioconcentration factor (BCF) of read across chemical N,N-dioctyl-1-octanamine on test organism Cyprinus carpio. The vehicle used was HCO-40 at first Concentration area 0.5 mg/L and second concentration area 0.05 mg/L. Recovery ratio used was test water at 1st concentration area : 91.1 % and at 2nd concentration area : 101 %, Fish : 97.4 %, and Limit of detection of Test water was at 1st concentration area : 0.001 mg/L, 2nd concentration area : 0.0001 mg/L, Fish : 0.01 mg/L. Nominal concentrations used was 1st Concentration area: 0.05 mg/L (w/v), 2nd Concentration area: 0.005 mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 5.1 ppm(w/v). The lipid content of fish was 5.1 %. Thus according to static Fish Test the BCF value for N, N-dioctyl-1-octanamine was observed to be 23-101 L/kg at dose concentration 0.05 mg/L and 25-143 L/kg at dose concentration 0.005 mg/L on test organism Cyprinus carpio during 8 weeks period. These BCF values indicate that the read across substance N,N-dioctyl-1-octanamine is not bioaccumulative in fish and food chain as these values are far less than 2000 criteria.
In another supporting weight of evidence study from authoritative database Hazardous Substance Data Bank (HSDB, 2017) the BCF value of read across chemical dimethyl(dioctadecyl)azanium chloride (CAS no. 107-64-2) estimated was 71 dimensionless by using log Kow of 3.80 and regression derived equation and it is far less than 2000 criteria so it is concluded that read across chemical dimethyl(dioctadecyl)azanium chloride is non bioaccumulative.
On the basis of above results for target chemical Tetraoctylammonium Bromide (CAS no.14866-33-2) (from EPI suite, ACD lab and CompTox Chemistry Dashboard, 2017) and for its read across substances (from authoritative database J check and HSDB 2017), it can be concluded that the BCF value of test substance Tetraoctylammonium Bromide ranges from 56.3 to 1461 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Tetraoctylammonium Bromide is expected to be non-bioaccumulative in the food chain.
Transport and Distribution:
Adsorption/Desorption:
Predicted data for target chemical Tetraoctylammonium Bromide (CAS No. 14866-33-2) and supporting weight of evidence studies for its read across chemical were reviewed for adsorption endpoint and their results were summarized below.
In a prediction done by using EPI suite (Estimation Program Interface, 2017) KOCWIN Program (v2.00) Soil Adsorption Coefficient i.e. Koc value of test chemical Tetraoctylammonium Bromide (CAS No. 14866-33-2) was estimated using as 235200000 L/kg (log Koc= 8.3714) by means of MCI method at 25 deg. C..
Another 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 adsorption coefficient i.e KOC for test substance tetraoctylammonium bromide (CAS no.14866-33-2) was estimated to be 28200 L/kg (log Koc = 4.4502) it is based on the 5 OECD principles.
In a supporting weight of evidence study for read across chemical n-pentacosane (CAS no.629-99-2) from authoritative database Hazardous Substance Data Bank ( HSDB, 2017) Koc value was estimated using an estimated log Kow of 12.62 and a regression derived equation. The estimated Koc value was 12000000 dimensionless and log Koc is 7.0791.
In another supporting weight of evidence study for read across chemical dimethyl(dioctadecyl)azanium chloride (CAS no.107-64-2) from same source as mentioned above ( HSDB, 2017) the Koc Value was estimated by using a log Kow of 3.80 and a regression-derived equation. The estimated Koc value is 10000000000 dimensionless and log Koc is 10.0
On the basis of above results for target chemical Tetraoctylammonium Bromide (CAS no.14866-33-2) (from EPI suite and Comptox Chemistry Dashboard, 2017), and for its read across chemical (From HSDB, 2017) it can be concluded that the Koc value of test substance tetraoctylammonium bromide ranges from 28200 to 235200000 dimensionless and log koc ranges from 4.4502 to 8.3714 indicating that the test chemical tetraoctylammonium bromide has very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
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