Registration Dossier
Registration Dossier
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EC number: 259-097-5 | CAS number: 54322-33-7
Endpoint summary
Administrative data
Description of key information
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.
Additional information
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.
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