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EC number: 219-264-5 | CAS number: 2398-37-0
Endpoint summary
Administrative data
Description of key information
Biodegradation in water
Biodegradability of 1 -Bromo-3 -methoxybenzene (CAS no. 2398 -37 -0) is predicted using QSAR toolbox version 3.3 (2017). Test substance undergoes 0.125% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 1 -Bromo-3 -methoxybenzene was estimated to be not readily biodegradable in water.
Biodegradation in water and sediment
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 1 -Bromo-3 -methoxybenze ne (CAS No. 2398 -37 -0). If released in to the environment, 35.2% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 1 -Bromo-3 -methoxybenzene 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 1 -Bromo-3 -methoxybenzene in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.324%), indicates that 1 -Bromo-3 -methoxybenzene is not persistent in sediment.
Biodegradation in soil
The half-life period of1-Bromo-3-methoxybenzene(CAS No. 2398 -37 -0) 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, 57.9% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of1-Bromo-3-methoxybenzenein soil is estimated to be 75 days (1800 hrs). Based on this half-life value of1-Bromo-3-methoxybenzene, 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: aquatic / sediment
From BCFBAF (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 1-bromo-3-methoxybenzene is 46.37 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 1-bromo-3-methoxybenzene is not expected to bio accumulate in the food chain.
Adsorption / desorption:
The Soil Adsorption Coefficient i.e Koc value of 1-bromo-3-methoxybenzene was estimated using EPI suite KOCWIN (v2.00) program as Koc 149.9 L/kg(log Koc=2.17) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 1-bromo-3-methoxybenzene has a Low sorption to soil and sediment and therefore have moderate migration potential to groundwater.
Additional information
Biodegradation in water
2 predicted data for the target compound 1-Bromo-3-methoxybenzene (CAS No. 2398-37-0) and the total 3 studies (from authoritative database) for its closest read across substance with logKow as the primary descriptor were reviewed for the biodegradation end point which are summarized as below:
In a predicted data done by SSS (2017) using QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical 1-Bromo-3 -methoxybenzene (CAS no. 2398 -37 -0) was estimated. Test substance undergoes 0.125% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 1 -Bromo-3 -methoxybenzene was estimated to be not readily biodegradable in water.
In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound 1 -Bromo-3 -methoxybenzene (CAS no. 2398 -37 -0) in the presence of mixed populations of environmental microorganisms was estimated. 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 1 -Bromo-3 -methoxybenzene is expected to be not readily biodegradable.
In a weight of evidence study from authoritative database (J-CHECK, 2016) and secondary source (OECD SIDS, 1995) for read across substance 2,4 -Dichloro-1 -methylbenzene (CAS no. 95 -73 -8) , biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 2,4-Dichloro-1-methylbenzene. 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 test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of read across substance was determined to be 0% by BOD and GC parameter in 28 days. Thus, based on percentage degradation, 2,4-Dichloro-1-methylbenzene is considered to be not readily biodegradable in nature.
Another supporting weight of evidence study of biodegradation was conducted for 28 days for evaluating the percentage biodegradability of read across substance (4 -Chloro-2 -methylphenoxy)acetic acid (CAS no. 94 -74 -6) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of read across substance was determined to be 1, 0 and 2% by BOD, O2 consumption, TOC removal, test mat. analysis and HPLC parameter in 28 days. Thus, based on percentage degradation, (4 -Chloro-2 -methylphenoxy)acetic acid is considered to be not readily biodegradable in nature.
In an additional studyof read acrosssubstance substance1-Chloronaphthalene (CAS no. 90 -13 -1) from authoritative database (J-CHECK, 2016), biodegradation experiment was carried out for 14 days for evaluating the percentage biodegradability of read across substance1 -Chloronaphthalene. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of read across substance was determined to be 0 and 1% by BOD and GC parameter in 14 days. Thus, based on percentage degradation, 1 -Chloronaphthalene is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical1 -Bromo-3 -methoxybenzene(from OECD QSAR toolbox version 3.3 and EPI Suite) and for its read across substance (from authoritative database J-CHECK), it can be concluded that the test substance1 -Bromo-3 -methoxybenzene can be expected to be not readily biodegradable in nature.
Biodegradation in water and sediment
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 1 -Bromo-3 -methoxybenze ne (CAS No. 2398 -37 -0). If released in to the environment, 35.2% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 1 -Bromo-3 -methoxybenzene 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 1 -Bromo-3 -methoxybenzene in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.324%), indicates that 1 -Bromo-3 -methoxybenzene is not persistent in sediment.
Biodegradation in soil
The half-life period of1-Bromo-3-methoxybenzene(CAS No. 2398 -37 -0) 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, 57.9% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of1-Bromo-3-methoxybenzenein soil is estimated to be 75 days (1800 hrs). Based on this half-life value of1-Bromo-3-methoxybenzene, 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 1-Bromo-3-methoxybenzene can be considered to be not readily biodegradable in nature.
Bioaccumulation: aquatic / sediment
Four prediction reports from validated models for bioaccumulation in aquatic environment endpoint of test chemical 1-bromo-3-methoxybenzene (Cas no. 2398-37-0) were reviewed as follows:
First prediction done using BCFBAF (v3.01) model of EPI suite, estimated bio concentration factor (BCF) for 1-bromo-3-methoxybenzene to be 46.37 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 1-bromo-3-methoxybenzene is not expected to bio accumulate in the food chain.
Another predicted model PBT profiler; 2017 indicated the Bioaccumulation factor (BCF) to be 46 at 25 deg.C for test chemical 1-bromo-3-methoxybenzene. Based on the BCF concentration it is concluded that the test chemical 1-bromo-3-methoxybenzene is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
From Scifinder database, the Bioconcentration factor (BCF) for target chemical 1-bromo-3-methoxybenzene was predicted to be 122 at pH 1-10 and temperature 25 deg.C. Based on the BCF concentration at all range of pH it is concluded that the test chemical 1-bromo-3-methoxybenzene is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Another estimation from ACD/PhysChem Suite of Chemspider suggest the Bioconcentration factor (BCF) for target chemical 1-bromo-3-methoxybenzene to be 122.81 at pH 5.5 and 7.4 at temperature 25 deg.C. Based on the BCF concentration at two different pH, it an be concluded that the test chemical 1-bromo-3-methoxybenzene is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
All reports from reliable prediction models indicate the Bioaccumulation value (BCF) to be in the range 46 -122.81 for target chemical 1-bromo-3-methoxybenzene. Thus, it can be concluded that the test substance 1-bromo-3-methoxybenzene (Cas no. 2398-37-0) is non bioaccumulative in aquatic environment as it does not exceed the BCF criteria of 2000.
Adsorption / desorption:
Three predicted reports from validate models for adsorption in soil/sediment endpoint of test chemical 1-bromo-3-methoxybenzene (Cas no. 2398-37-0) were reviewed as follows:
The Soil Adsorption Coefficient i.e Koc value of 1-bromo-3-methoxybenzene was estimated using EPI suite KOCWIN (v2.00) program as Koc 149.9 L/kg(log Koc=2.17) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 1-bromo-3-methoxybenzene has a Low sorption to soil and sediment and therefore have moderate migration potential to groundwater.
Data from Chemspider - ACD/PhysChem Suite prediction database suggest the soil adsorption coefficient i.e Koc value of test substance 1-bromo-3-methoxybenzene to be 1089.11(log koc-3.03) at pH 5.5 and pH 7.4 and temp.25 deg.C. Koc values at different pH indicates that the substance 1-bromo-3-methoxybenzene has Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Whereas SciFinder, American Chemical Society (ACS); 2017 prediction database indicated the soil adsorption coefficient i.e Koc value of test substance 1-bromo-3-methoxybenzene was estimated to be 1080.0 (Log koc-3.03) at pH 1-10 and temperature 25 deg.C.
All three studies based on the prediction reports indicate the adsorption coefficient (KOC) value is in the range of 149.9 to 1089.11 (i.e log Koc range 2.17 to 3.03) at temperature 25 deg.C Thus all above results from validated predicted models indicate that the test substance 1-bromo-3-methoxybenzene (Cas no. 2398-37-0) has low to moderate mobility in soil/sediment.
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