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EC number: 226-942-4 | CAS number: 5570-77-4
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic/sediment
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) prediction program was used to predict the bioconcentration factor (BCF) of test chemical 4 -chloro-1 -methylpiperidine (CAS No. 5570 -77 -4). The bioconcentration factor (BCF) of 4-chloro-1-methylpiperidine was estimated to be 5.123 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4-chloro-1-methylpiperidine is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic/sediment
Various predicted data for the target compound 4-chloro-1-methylpiperidine (CAS No. 5570-77-4) and the supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done using theBCFBAF Model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) the bioconcentration factor (BCF) of 4-chloro-1-methylpiperidine was estimated to be 5.123 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) module, the BCF value of the test substance 4-chloro-1-methylpiperidine (CAS no. 5570 -77 -4) at pH range 0-7, 8, 9, 10 and at range 11-14 was estimated to be approx. 1, 2.91, 4.78, 5.10 and 5.14 respectively.
Bioaccumulation test was conducted for estimating the bioconcentration factor (BCF) of test chemical 4-chloro-1-methylpiperidine (CAS no. 5570 -77 -4)(ChemSpider, 2017). The bioconcentration factor (BCF) of 4-chloro-1-methylpiperidine was estimated to be 1.00 and 1.93 at pH 5.5 and 7.4, respectively.
Another prediction was done using SciFinder database (American Chemical Society (ACS), 2017) for the bioconcentration factor (BCF) of test chemical 4-chloro-1-methylpiperidine (CAS No. 5570 -77 -4). The estimated bioconcentration factor (BCF) of 4-chloro-1-methylpiperidine was estimated to be 1 at pH range from 1-7 and 3.97, 6.50 and 6.95 at pH 8, 9 and 10, respectively (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 4-chloro-1-methylpiperidine was estimated to be 12.2 dimensionless. The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 4-chloro-1-methylpiperidine is non-bioaccumulative in nature.
In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical 1-methylpiperidine (CAS no. 626-67-5), bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of 1-methylpiperidine under static conditions. The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances". Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water : 1st concentration area : 98.4%, 2nd concentration area : 94.8 %, Fish : 93.3%, Limit of detection : Test water : 1stconcentration area: 0.04 ppm, 2ndconcentration area: 0.004 ppm, Fish: 0.14 ppm. Test chemical nominal conc. used for the study were1 mg/l and 0.1 mg/l (w/v), respectively. Range finding study involve the TLm (48 hr) 29.8 ppm (29.8 mg/l) (w/v) on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 4.9%.The bioconcentration factor (BCF value) of substance 1 -methylpiperidine on Cyprinus carpio was determined to be 0.5 -1.2 at a conc. of 1 mg/l and 2.6 -6.3 L/Kg at a conc. of 0.1 mg/l, respectively.
Another bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical 2,2'-(methylimino)diethanol (CAS no. 105-509-9) (HSDB, 2017). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of -1.50 and a regression derived equation. The BCF (bioaccumulation factor) value of 2,2'-(methylimino)diethanol was determined to be 3.2 dimensionless.
On the basis of above results for target chemical 4-chloro-1-methylpiperidine (from EPI Suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,2017) and for its read across substance from authoritative database J-CHECK and HSDB, it can be concluded that the BCF value of test substance 4-chloro-1-methylpiperidine ranges from 1 –12.2 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4-chloro-1-methylpiperidine is not expected to bioaccumulate in the food chain.
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