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EC number: 204-627-2 | CAS number: 123-43-3
Endpoint summary
Administrative data
Description of key information
Biodegradation:
Biodegradation in water:
The biodegradability of test chemical sulphoacetic acid ( CAS no. 123 -43 -3) is predicted using OECD QSAR tool box v. 3.3 using log Kow as primary descriptor. Sulfoacetic acid showed 82 % degradation in 28 days using microorganisms as inoculum and BOD as a parameter. Hence, it is concluded that the chemical sulphoacetic acid is 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 Sulfoacetic acid (CAS No: 123-43-3) .If released in to the environment, 33.5 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Sulfoacetic acid (CAS No: 123-43-3) in water is estimated to be 8.66 days (208 hrs). The half-life (8.66 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 Sulfoacetic acid (CAS No: 123-43-3) in sediment is estimated to be 77.91 days (1870 hrs) indicates that test chemical is not persistent in sediment.
Biodegradtion in soil:
The half-life period of Sulfoacetic acid (CAS No: 123-43-3) 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, 66.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Sulfoacetic acid (CAS No: 123-43-3) in soil is estimated to be 17.33 days (416 hrs). Based on this half-life value of Sulfoacetic acid (CAS No: 123-43-3, it is concluded that the chemical Sulfoacetic acid (CAS No: 123-43-3) is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.
Bioaccumulation:
Bioaccumulation in aquatic and sediment:
From BCFBAF Program (v3.00) model of EPI suite v.3.01 the estimated bio concentration factor (BCF) for Sulfoacetic acid (CAS No: 123-43-3) is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that Sulfoacetic acid (CAS No: 123-43-3) is not expected to bio accumulate in the aquatic environment.
Transport and Distribution:
Adsorption /Desorption:
The Soil Adsorption Coefficient i.e Koc value of Sulfoacetic acid (CAS No: 123-43-3) was estimated using EPI suite KOCWIN Program (v2.00) as 1 L/kg(log Koc=0.0) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Sulfoacetic acid (CAS No: 123-43-3) has a negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Additional information
Biodegradation:
Biodegradation in water:
Predictated data for target chemical Sulphoacetic acid ( CAS no. 123 -43 -3) and supporting weight of evidence studies for its closest read across substance with log Kow as a primary descriptor were reviewed for biodegradation endpoint which are summarized as below.
The biodegradability of test chemical sulphoacetic acid ( CAS no. 123 -43 -3) is predicted using OECD QSAR tool box v. 3.3 using log Kow as primary descriptor. Sulfoacetic acid showed 82 % degradation in 28 days using microorganisms as inoculum and BOD as a parameter.
In another estimation study using Estimation Programs Interface Suite (EPI suite, 2017), biodegradation potential of the test compound Sulfoacetic acid (CAS No: 123-43-3) was predicted 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 Sulfoacetic acid (CAS No: 123-43-3) is expected to be readily biodegradable
In a supporting weight of evidence study from secondary source ( J check, 2017) for read across chemical Diethyl Oxalate (CAS no. 95-92-1), biodegradation experiment was performed for 28 days for evaluating the percentage biodegradability. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of test substance was determined to be 80% degradation by BOD and 100% degradation by TOC removal and by HPLC parameter in 28 days. These values of percentages are more than 70, so read across chemical Diethyl oxalate is considered to be readily biodegradable .
In another supporting weight of evidence study from secondary source ( J check, 2017) for read across chemical 1, 4-Butanedicarboxylic acid (CAS no. 124-04-9), biodegradation experiment was performed for 14 days for evaluating the percentage biodegradability. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance 1, 4-Butanedicarboxylic acid was determined to be 81% degradation by BOD, 98 % degradation by TOC removal and 100% degradation by HPLC parameter in 14 days. Thus, based on percentage degradation, 1, 4-Butanedicarboxylic acid – is considered to be readily biodegradable in water.
On the basis of above results for target chemical sulphoacetic acid ( from OECD QSAR tool box v.3.3 and EPI suite) and for its read across from secondary source, it can be concluded that the test sunstance is expected to be 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 Sulfoacetic acid (CAS No: 123-43-3) .If released in to the environment, 33.5 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Sulfoacetic acid (CAS No: 123-43-3) in water is estimated to be 8.66 days (208 hrs). The half-life (8.66 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 Sulfoacetic acid (CAS No: 123-43-3) in sediment is estimated to be 77.91 days (1870 hrs) indicates that test chemical is not persistent in sediment.
Biodegradtion in soil:
The half-life period of Sulfoacetic acid (CAS No: 123-43-3) 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, 66.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Sulfoacetic acid (CAS No: 123-43-3) in soil is estimated to be 17.33 days (416 hrs). Based on this half-life value of Sulfoacetic acid (CAS No: 123-43-3, it is concluded that the chemical Sulfoacetic acid (CAS No: 123-43-3) is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.
Bioaccumulation:
Bioaccumulation in aquatic and sediment:
Various predicted data for the target compound Sulphoacetic acid (CAS No. 123 -43 -3) were reviewed for the bioaccumulation end point which are summarized as below
In a prediction done using BCFBAF Program (v3.00) model of EPI suite v.3.01 the estimated bio concentration factor (BCF) for Sulfoacetic acid (CAS No: 123-43-3) is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.
In another prediction done using Bio-concentration Factor (v12.1.0.50374) module (Advanced chemistry development ( ACD) I-lab) Bio-concentration Factor over the entire pH scale of the Sulphoacetic acid estimated to be 1 dimensionless.
Another prediction was performed using Sci Finder database ( American Chemical Society, 2017) in which the biocentration factor ( BCF) for target chemical Sulphoacetic acid ( CAS no. 123 -43 -3) was estiamted to be 1 dimensionless at pH range 1 -10 at temperature 25 deg. C.
By using 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 Sulphoacetic acid was estimated to be 4.63 dimensionless.
And by using Chemspider-ACD/Phychem suite prediction model the bioconcentration factor (BCF) for target chemical Sulphoacetic acid ( CAS no. 123 -43 -3 ) was estimated to be 1 at pH 5.5 and 7.4 at temperature 25 deg. C.
On the basis of above results for target chemical Sulphoacetic acid (from EPI suite, ACD labs, SciFinder database, CompTox Chemistry Dashboard and ChemSpider, 2017) , it can be concluded that the BCF value of test substance sulphoacetic acid ranges from 1 to 4.63 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Sulphoacetic acid is not expected to bioaccumulate in the food chain.
Transport and Distribution:
Adsorption /Desorption:
Various predicted data for the target compound Sulphoacetic acid (CAS No. 123 -43 -3) were reviewed for the adsorption end point which are summarized as below:
In a prediction done using KOCWIN Program ( v.2.00) of Estimation Program Interface( EPI suite, 2017) the Soil Adsorption Coefficient i.e Koc value of Sulfoacetic acid (CAS No: 123-43-3) estimated was 1 L/kg(log Koc=0.0) by means of MCI method at 25 deg.C.
The Soil Adsorption Coefficient i.e Koc value of test substance Sulphoacetic acid ( CAS no. 123 -43 -3) was estimated using Adsorption Coefficient module (v12.1.0.50374) of(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).program as Koc 1 (log Koc= 0).
Additionally, the soil adsorption co-efficient i.e., Koc value of test chemical Sulphoacetic acid (CAS no. 123 -43 -3) was estimated to be 1 ( log Koc =0) at pH 1-10 at temperature 25 deg. by using Sci Finder database( American Chemical Society (ACS) 2017)
In another prediction done using Chemspider-ACD/Phy chem suite ( 2017) the soil adsorption co-efficient i.e., Koc value of test substance Sulphoacetic acid ( CAS no. 123 -43 -3) was estimated to be 1 ( log Koc=0) at pH 5.5 and 7.4 and temperature 25 deg.C
And by using 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 Sulphoacetic acid (CAS no. 123 -43 -3) was estimated to be 4.51 L/kg (log Koc = 0.65) .The predicted KOC result based on the 5 OECD principles.
On the basis of above overall results for target chemical Sulphoacetic acid (from EPI suite, ACD labs,SciFinder, ChemSpider database and CompTox Chemistry Dashboard,2017), it can be concluded that the Koc value of test substance Sulphoacetic acid ranges from 1 to 4.51 indicating that the test chemical sulphoacetic acid has a negligible sorption to soil and sediment and therefore have a rapid migration potential to groundwater.
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