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EC number: 259-097-5 | CAS number: 54322-33-7
Endpoint summary
Administrative data
Description of key information
Biodegradation in water
Biodegradability of Methanetrisulfonic acid (CAS no. 54322 -33 -7) is predicted using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor. Test substance undergoes 16.4% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Methanetrisulfonic acid 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 Methanetrisulfonic acid (CAS No. 54322 -33 -7). If released in to the environment, 25.4% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Methanetrisulfonic acid 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 Methanetrisulfonic acid 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 0.073%), indicates that Methanetrisulfonic acid is not persistent in sediment.
Biodegradation in soil
The half-life period of Methanetrisulfonic acid (CAS No. 54322 -33 -7) 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, 74.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Methanetrisulfonic acid in soil is estimated to be 30 days (720 hrs). Based on this half-life value of Methanetrisulfonic acid, 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
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical Methanetrisulfonic acid
(CAS No. 54322 -33 -7). The bioconcentration factor (BCF) of Methanetrisulfonic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical is not expected to bioaccumulate in the food chain.
Adsorption/desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical Methanetrisulfonic acid
(CAS No. 54322 -33 -7). The soil adsorption coefficient i.e Koc value of Methanetrisulfonic acid was estimated to be 24.95 L/kg (log Koc=1.3971) by means of MCI method (at 25 deg C). This Koc value indicates that the substance Methanetrisulfonic acid has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Additional information
Biodegradation in water
Various predicted data for the target compound Methanetrisulfonic acid (CAS No. 54322-33-7) and supporting weight of evidence studies 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 prediction done by SSS (2017) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, percentage biodegradability of test chemicalMethanetrisulfonic acid(CAS No. 54322-33-7)was estimated.Test substance undergoes 16.4% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Methanetrisulfonic acid 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 compoundMethanetrisulfonic acid(CAS No. 54322-33-7)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 chemical Methanetrisulfonic acid is expected to be not readily biodegradable.
In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical sodium 4-acetamidobenzene-1-sulfonate (CAS no. 6034-54-4), biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of read across substance sodium 4-acetamidobenzene-1-sulfonate. 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 substance sodium 4 -acetamidobenzene-1 -sulfonate was determined to be 2 and 0% by BOD, TOC removal, and HPLC parameter in 14 days. Thus, based on percentage degradation, sodium 4 -acetamidobenzene-1 -sulfonate is considered to be not readily biodegradable in nature.
Another biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance sodium 2,4-dimethylbenzene-1-sulfonate (CAS no. 827-21-4) (J-CHECK, 2017 and OECD SIDS, 2005). The study was performed according to OECD Guideline 301C “Ready biodegradability: Modified MITI Test (I)” under aerobic conditions. 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. 30 mg of the test substance or aniline and 9 mg of activated sludge were added into 300 ml of test medium. Before adding the inoculum, pH values were adjusted to 7 +/- 0.1 by HCl. The test and control vessels were cultivated for 28 days at 25 degree C. Biodegradability continuously measured by a BOD meter. At the end of the test, residual amount of the test substance was determined by TOC and HPLC analysis. pH in the test solution at the end of the test were 7.3, 7.5 and 7.9, respectively. Substance sodium 2,4-dimethylbenzene-1-sulfonate undergoes 4, 0 and 1% degradation by BOD, TOC removal, and HPLC parameter in 28 days. Thus, based on percentage degradation, sodium 2,4-dimethylbenzene-1-sulfonate is considered to be not readily biodegradable in nature.
For the read across chemical disodium 4-formylbenzene-1,3-disulfonate (CAS no. 33513-44-9), biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance disodium 4 -formylbenzene-1,3 -disulfonate. 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 substance disodium 4 -formylbenzene-1,3 -disulfonate was determined to be 2, 1 and 4% by BOD, O2 consumption, TOC removal, test mat. analysis and HPLC parameter in 28 days. The test substance was oxidized 5 -6 % in (sludge + test substance) system and generated 3 -4% of 2,4 -disulfobenzoicacid disodium salt. Thus, based on percentage degradation, disodium 4 -formylbenzene-1,3 -disulfonate is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical Methanetrisulfonic acid (from OECD QSAR toolbox version 3.4 and EPI suite, 2017) and for its read across substance (from authoritative database J-CHECK, 2017 and secondary source OECD SIDS, 2005), it can be concluded that the test substance Methanetrisulfonic acid 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 Methanetrisulfonic acid (CAS No. 54322 -33 -7). If released in to the environment, 25.4% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Methanetrisulfonic acid 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 Methanetrisulfonic acid 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 0.073%), indicates that Methanetrisulfonic acid is not persistent in sediment.
Biodegradation in soil
The half-life period of Methanetrisulfonic acid (CAS No. 54322 -33 -7) 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, 74.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Methanetrisulfonic acid in soil is estimated to be 30 days (720 hrs). Based on this half-life value of Methanetrisulfonic acid, 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 Methanetrisulfonic acid can be considered to be not readily biodegradable in nature.
Bioaccumulation: aquatic/sediment
Various predicted data for the target compound Methanetrisulfonic acid (CAS No. 54322-33-7) were reviewed for the bioaccumulation end point which are summarized as below:
In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical Methanetrisulfonic acid (CAS No. 54322 -33 -7). The bioconcentration factor (BCF) of Methanetrisulfonic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), the BCFover the entire pH scale (pH 0 -14) of the test substance Methanetrisulfonic acid (CAS no. 54322 -33 -7) was estimated to be 1.
Bioconcentration Factor (BCF) of test chemical Methanetrisulfonic acid (CAS no. 54322 -33 -7) was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance Methanetrisulfonic acid was estimated to be 1 at both pH 5.5 and 7.4, respectively.
Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical Methanetrisulfonic acid (CAS No. 54322 -33 -7). The bioconcentration factor (BCF) of Methanetrisulfonic acid was estimated to be 1 (at 25 deg C).
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 Methanetrisulfonic acid was estimated to be 2.47 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance Methanetrisulfonic acid is non-bioaccumulative in nature.
On the basis of above results for target chemicalMethanetrisulfonic acid(from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard, 2017), it can be concluded that the BCF value of test substanceMethanetrisulfonic acidranges from 1 – 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemicalMethanetrisulfonic acidis not expected to bioaccumulate in the food chain.
Adsorption/desorption
Various predicted data for the target compound Methanetrisulfonic acid (CAS No. 54322-33-7)were reviewed for the adsorption end point which are summarized as below:
In aprediction done using theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical Methanetrisulfonic acid (CAS No. 54322 -33 -7). The soil adsorption coefficient i.e Koc value of Methanetrisulfonic acid was estimated to be 24.95 L/kg (log Koc=1.3971) by means of MCI method (at 25 deg C).
The Soil Adsorption Coefficient i.e Koc value of test substance Methanetrisulfonic acid (CAS no. 54322 -33 -7) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1 (log Koc = 0) at pH range 0-14 respectively(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).
In an another prediction done by using ChemSpider Database (2017),the Soil Adsorption Coefficient i.e Koc value of test substance Methanetrisulfonic acid (CAS no. 54322 -33 -7) was estimated. The adsorption coefficient (Koc) value of test substance Methanetrisulfonic acid was estimated to be 1 (Log Koc = 0) at pH 5.5 and 7.4, respectively.
Additional soil adsorption coefficient i.e Koc value of test chemicalMethanetrisulfonic acid (CAS No. 54322 -33 -7)was estimated using the SciFinder database (American Chemical Society (ACS), 2017). The soil adsorption coefficient i.e Koc value of Methanetrisulfonic acid was estimated to be 1 (log Koc = 0) (at 25 deg C).
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 Methanetrisulfonic acid was estimated to be 23.4 L/kg (log Koc = 1.369).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance Methanetrisulfonic acid has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
On the basis of above overall results for target chemicalMethanetrisulfonic acid(from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,2017), it can be concluded that the Koc value of test substanceMethanetrisulfonic acidranges from 1 –24.95indicating that the test chemicalMethanetrisulfonic acidhas a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
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