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EC number: 226-375-2 | CAS number: 5382-23-0
Endpoint summary
Administrative data
Description of key information
Bioaccumulation in Aquatic/ sediments:
From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 4-chloro-1-methylpiperidinium chloride (CAS No: 5382-23-0) is 5.123 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical 4-chloro-1-methylpiperidinium chloride is not expected to bio accumulate in the aquatic environment.
Additional information
Bioaccumulation in Aquatic/ sediments:
Various predicted data for the target compound 4-chloro-1-methylpiperidinium chloride (CAS No: 5382-23-0) and supporting weight of evidence study of its read across chemical were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done from BCFBAF Program (v3.00) model of EPI suite( Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for 4-chloro-1-methylpiperidinium chloride (CAS No: 5382-23-0) is 5.123 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.
Another predicted study was conducted using Bio-concentration Factor (v12.1.0.50374) module of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).Bio-concentration Factor of the chemical 4-chloro-1-methylpiperidinium chloride (CAS no. 5382 -23 -0) estimated was in range 1.0-5.14 dimensionless at pH 1-14.
Last 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 4-chloro-1-methylpiperidinium chloride (CAS no. 5382 -23 -0) was estimated to be 12.2 dimensionless it is based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database (J Check) for read across chemical Chlorocyclohexane (CAS no 542-18-7) BCF value was obtained by conducting Bioaccumulation test for 8 weeks of read across substance chlorocyclohexane on test organism Cyprinus carpio. The vehicle used in this study was HCO-40, Concentration of vehicle: 1st Concentration area: 600 ppb(w/v), 2nd Concentration area: 60 ppb(w/v). And Nominal concentrations used in the study as - 1st Concentration area: 0.2 mg/L, 2nd Concentration area: 0.02 mg/L and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 23.5 ppm(v/v). Thus according to static Fish Test the BCF value for chlorocyclohexane was observed to be 75-240 L/kg at dose concentration 0.2 mg/L and 140-297 L/kg at dose concentration 0.02 mg/L on test organism Cyprinus carpio during 8 weeks period. These BCF values indicate that the read across substance chlorocyclohexane is not bioaccumulative in fish and food chain.
On the basis of above results for target chemical 4-chloro-1-methylpiperidinium chloride (CAS no. 5382 -23 -0) (from EPI suite, ACD labs, and CompTox Chemistry Dashboard 2017) and for its read across chemicals (From J Check) it can be concluded that the BCF value of test substance 4-chloro-1-methylpiperidinium chloride ranges from 1 to 12.2 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4-chloro-1-methylpiperidinium chloride is expected to be non-bioaccumulative in the food chain.i
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