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EC number: 248-595-8 | CAS number: 27668-52-6
Endpoint summary
Administrative data
Description of key information
Hydrolysis
HYDROWIN v2.00 program of Estimation Programs Interface (EPI) Suite (2016) prediction model was used to predict the hydrolysis half-life of test compound (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride (CAS No. 27668 -52 -6).The estimated half-life of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride at different pH was estimated to be -
at pH 4: 1.1 to 24 min
at pH 5: 13 to 155 min
at pH 7: 28 to 504 min
at pH 9: 0.04 to 340 min (at 25ᵒC) respectively, indicating that it is rapidly hydrolysable.
Biodegradation in water
Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound (3-(Trimethoxysilyl) propyl)dimethyloctadecylammonium chloride (CAS no. 27668 -52 -6) 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 (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride is not expected to be readily biodegradable.
Biodegradation in water and sediment
Estimation Programs Interface (EPI) Suite (2016) prediction model was run to predict the half-life in water and sediment for the test compound (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride (CAS No. 27668 -52 -6). If released in to the environment, 1.69% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of (3-(Trimethoxysilyl)propyl)dimethyloctadecyl ammonium chloride in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 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 (3-(Trimethoxysilyl)propyl) dimethyloctadecyl ammonium chloride in sediment is estimated to be 337.5 days (8100 hrs). Based on this half-life value (337.5 days), it indicates that the chemical (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride is highly persistent in sediment.
Biodegradation in soil
The half-life period of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride (CAS No. 27668 -52 -6) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2016). If released into the environment, 32.1% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium 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.
Additional information
Adsorption / desorption:
Experimental and Predicted data of adsorption endpoint for the target chemical Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride (Cas no. 27668-52-6) and its read across chemical were reviewed to summarize as follows:
From predicted model EPI suite 2016 indicate that the soil adsorption coefficient (Koc) value of chemical Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride is estimated to be 48010000 L/kg (log KOC = 7.6813) by means of MCI method at 25 deg.C, indicating that it is has a Very strong sorption to soil and sediment with negligible migration potential to groundwater.
Whereas from PBT profiler predicted database the soil adsorption coefficient i.e Koc value of test substance Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride was estimated to be 48000000 L/Kg i.e Log Koc= 7.68124 at 25 deg.C, This Koc value indicates that the substance Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride has a Very strong sorption to soil and sediment with negligible migration potential to groundwater.
From HSDB database; 2016 following results were available for various read across chemicals:
Read across chemical Didecyldimethylammonium chloride (Cas no. 7173-51-5) indicate In batch equilibrium studies using five different soil types and OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method), didecyl dimethyl ammonium chloride had Koc values of 667, 1140, 10456, 14072 and 24433. these Koc values suggest that didecyl dimethyl ammonium chloride is expected to have low to no mobility in soil with most Koc values suggesting the compound is immobile in soil.
Another read across substance Benzyldimethyl(octadecyl)ammonium chloride (Cas no. 122-19-0)indicate the adsorption coefficient (Koc) of substance was found to be 30000000 using a structure estimation method based on molecular connectivity indices. This Koc value suggests that benzyldimethylstearylammonium chloride is expected to be immobile in soil.
The adsorption coefficient (Koc) of substance trimethylhexadecylammonium chloride was found to be 220000 using a structure estimation method based on molecular connectivity indices.This Koc value suggests that trimethylhexadecylammonium chloride is expected to immobile in soil.
And the adsorption coefficient (Koc) of substance Dimethyldioctadecylammonium chloride was found to be 10000000000 using a log Kow of 3.80 and a regression-derived equation.This Koc value suggests that dimethyldioctadecylammonium chloride is expected to be immobile in soil.
Thus based on the above all studies it is concluded that the test substance Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride (Cas no. 27668-52-6) is expected to be immobile in soil/sediment.
Hydrolysis
HYDROWIN v2.00 program of Estimation Programs Interface (EPI) Suite (2016) prediction model was used to predict the hydrolysis half-life of test compound (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride (CAS No. 27668 -52 -6).The estimated half-life of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride at different pH was estimated to be -
at pH 4: 1.1 to 24 min
at pH 5: 13 to 155 min
at pH 7: 28 to 504 min
at pH 9: 0.04 to 340 min (at 25ᵒC) respectively, indicating that it is rapidly hydrolysable.
Biodegradation in water
Predicted data for the test compound(3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride(CAS No. 27668-52-6) and the study for its read across substance were reviewed for the biodegradation end point which are summarized as below:
Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound (3-(Trimethoxysilyl) propyl)dimethyloctadecylammonium chloride (CAS no. 27668 -52 -6) 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 (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride is not expected to be readily biodegradable.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance Dimethyl di(hydrogenated tallow) ammonium chloride (CAS no. 61789-80-8) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 0% byO2 consumption, BODand 17% degradation byTest mat. analysis and HPLC in 28 days. Thus, based on percentage degradation, Dimethyl di(hydrogenated tallow) ammonium chloride was considered to be not readily biodegradable in nature.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance Dimethyl di(hydrogenated tallow) ammonium chloride (CAS no. 61789-80-8) (ECETOC (European Centre for Ecotoxicology and Toxicology of Chemicals), Brussels, February 1993). Initial substance conc. used in the study was 20 mg/l. The percentage degradation of read across substance was determined to be 0% by BOD in 28 days. Thus, based percentage degradation, Dimethyl di(hydrogenated tallow) ammonium chloride was considered to be not readily biodegradable in nature.
Biodegradation study was conducted according to Modified Closed bottle test for 20 days for evaluating the percentage biodegradability of read across substance Dimethyl di(hydrogenated tallow) ammonium chloride (CAS no. 61789-80-8) (ECETOC (European Centre for Ecotoxicology and Toxicology of Chemicals), Brussels, February 1993). Initial substance conc. used in the study was 1, 0.8, 0.5 and 0.4 mg/l, respectively. The percentage degradation of read across substance was determined to be 8, 12, 17 and 35% by BOD in 20 days at different test chemical conc. Thus, based on percentage degradation, Dimethyl di(hydrogenated tallow) ammonium chloride was considered to be not readily biodegradable in water.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance Cetrimonium bromide chloride (CAS no. 57-09-0) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 0% by BOD & UV-Vis,17% by TOC removal and19% by HPLC in 28 days. Thus, based on percentage degradation, Cetrimonium bromide was considered to be not readily biodegradable in nature.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance Didecyl dimethyl ammonium chloride (CAS no. 7173-51-5) (J-CHECK, 2016). 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 substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 0% degradation by O2 consumption, BOD, Test mat. analysis and 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 and read across substance, it can be concluded that the test substance(3-(Trimethoxysilyl)propyl)dimethyl octadecylammonium chloridecan be expected to be not readily biodegradable in nature.
Biodegradation in water and sediment
Estimation Programs Interface (EPI) Suite (2016) prediction model was run to predict the half-life in water and sediment for the test compound (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride (CAS No. 27668 -52 -6). If released in to the environment, 1.69% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of (3-(Trimethoxysilyl)propyl)dimethyloctadecyl ammonium chloride in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 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 (3-(Trimethoxysilyl)propyl) dimethyloctadecyl ammonium chloride in sediment is estimated to be 337.5 days (8100 hrs). Based on this half-life value (337.5 days), it indicates that the chemical (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride is highly persistent in sediment.
Biodegradation in soil
The half-life period of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride (CAS No. 27668 -52 -6) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2016). If released into the environment, 32.1% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium 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.
On the basis of available information, the test substance(3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride can be considered to be not readilybiodegradable in nature.
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