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EC number: 225-896-2 | CAS number: 5137-55-3
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic/sediments:
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for Methyltrioctylammonium chloride (CAS No.5137-55-3) is 70.79 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Methyltrioctylammonium chloride is non bioaccumulative in food chain.
Additional information
Bioaccumulation: aquatic/sediments:
Predicted data from three different sources for the target compound Methyltrioctylammonium chloride (CAS No.5137-55-3) and supporting weight of evidence studies for its structurally similar read across substance were reviewed for the bioaccumulation end point which is summarized as below:
In aprediction done by using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite, 2017) the estimated bio concentration factor (BCF) for Methyltrioctylammonium chloride (CAS No.5137-55-3) was estimated to be 70.79 L/kg wet-wt at 25 deg. c
Another prediction done by using Bio-concentration Factor (v12.1.0.50374) module of Advanced Chemistry Development/I-lab predictive model in this study the Bio-concentration Factor at range pH 1-14 of the chemical Methyltrioctylammonium chloride (CAS no.5137 -55 -0) estimated to be 58.4 dimensionless.
Next prediction was done 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 Methyltrioctylammonium chloride (CAS no.5137 -55 -3) was estimated to be 221 dimensionless . The predicted BCF result was based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database ( J check, 2017) of test chemical bioaccumulation test was conducted for 8 weeks for determination the bioconcentration factor (BCF) of read across chemical on test organism Cyprinus carpio. The vehicle used was HCO-40 at first Concentration area 0.5 mg/L and second concentration area 0.05 mg/L. Recovery ratio used was test water at 1st concentration area : 91.1 % and at 2nd concentration area : 101 %, Fish : 97.4 %, and Limit of detection of Test water was at 1st concentration area : 0.001 mg/L, 2nd concentration area : 0.0001 mg/L, Fish : 0.01 mg/L. Nominal concentrations used was 1st Concentration area: 0.05 mg/L (w/v), 2nd Concentration area: 0.005 mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 5.1 ppm(w/v). The lipid content of fish was 5.1 %. Thus according to static Fish Test the BCF value for test chemical was observed to be 23-101 L/kg at dose concentration 0.05 mg/L and 25-143 L/kg at dose concentration 0.005 mg/L on test organism Cyprinus carpio during 8 weeks period. These BCF values indicate that the test substance is not bioaccumulative in fish and food chain as these values are far less than 2000 criteria.
In another supporting weight of evidence study from authoritative database Hazardous Substance Data Bank (HSDB, 2017) the BCF value of test chemical estimated was 71 dimensionless by using log Kow of 3.80 and regression derived equation and it is far less than 2000 criteria so it is concluded that test chemical is non bioaccumulative.
On the basis of above results for target chemical Methyltrioctylammonium chloride (CAS No.5137-55-3) , it can be concluded that the BCF value of test substance Methyltrioctylammonium chloride ranges from 58.4 to 221 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical Methyltrioctylammonium chloride is expected to be non-bioaccumulative in the food chain.
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