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EC number: 226-373-1 | CAS number: 5382-16-1
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 4-Hydroxypiperidine (CAS No. 5382 -16 -1). The bioconcentration factor (BCF) of 4-Hydroxypiperidine 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 4-Hydroxypiperidine is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Various predicted data for the target compound 4-Hydroxypiperidine (CAS No. 5382-16-1) and supporting weight of evidence study for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In aprediction done using the BCFBAFProgram(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 4-Hydroxy piperidine (CAS No. 5382 -16 -1). The bioconcentration factor (BCF) of 4-Hydroxypiperidine 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 4-Hydroxypiperidine (CAS no. 5382 -16 -1) was estimated to be 1.
Bioconcentration Factor (BCF) of test chemical 4-Hydroxypiperidine (CAS no. 5382 -16 -1) was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 4-Hydroxypiperidine was estimated to be 1 at both pH 5.5 and 7.4, respectively.
Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 4-Hydroxy piperidine (CAS No. 5382 -16 -1). The bioconcentration factor (BCF) of 4-Hydroxypiperidine 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 4-Hydroxypiperidine was estimated to be 2.48 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 4-Hydroxypiperidine is non-bioaccumulative in nature.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical Pyrrolidine (CAS no.123-75-1), bioaccumulation experiment in fish was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical Pyrrolidine. The bioaccumulation factor (BCF) value was calculated using a log Kow of 0.46 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of Pyrrolidine was determined to be 3 dimensionless.
For the read across chemical Piperazine (CAS no. 110-85-0), bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of Piperazine (J-CHECK, 2017). 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", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 1 mg/l and 0.1 mg/l, respectively. Range finding study involve the TLm (48 hr) ≥ 1000 mg/l (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance Piperazine on Cyprinus carpio was determined to be ≤ 0.3 – 0.9 L/Kg at a conc. of 1 mg/l and ≤ 3.9 L/Kg at a conc. of 0.1 mg/l, respectively.
On the basis of above results for target chemical4-Hydroxypiperidine(from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard, 2017) and for its read across substance (from authoritative database HSDB and J-CHECK, 2017), it can be concluded that the BCF value of test substance4-Hydroxypiperidineranges from 1 – 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical4-Hydroxypiperidineis not expected to bioaccumulate in the food chain.
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