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EC number: 254-529-9 | CAS number: 39577-43-0
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is 116.4 L/kg whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Five different predicted results from validated models for bioaccumulation (BCF) endpoint of target chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine (Cas no. 39577-43-0) were summarized as follows:
First prediction done using BCFBAF (v3.00) model indicate the estimated bio concentration factor (BCF) for 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is 116.4 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is not expected to bio accumulate in the aquatic environment.
From PBT profiler prediction database, the Bioaccumulation factor (BCF) for test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be 120 L/kg wet-wt at 25 deg.C. Based on the BCF concentration it is concluded that the test chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Another validated prediction by ACD (Advanced Chemistry Development)/I-Lab; Algorithm Version: v5.0.0.184 using Bio-concentration Factor (v12.1.0.50374) module; 2017 indicate the bio-concentration Factor over the entire pH scale 1-14 of the test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine estimated to be in the range 1 to 412 (dimentionless).This value indicates that the test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine found to be non-accumulative in aquatic organisms.
Further, an estimation 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) indicate the bioaccumulation i.e BCF for test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine to be 100 dimensionless. The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine non-bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Last study from Scifinder database indicate the Bioconcentration factor (BCF) for target chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was predicted to be 1-121 at pH range 1-10 and temperature 25 deg.C.Based on the BCF concentration at all range of pH it is concluded that the test chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Thus based on the above information for bioaccumulation endpoint, it can be concluded that the BCF of the test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine (Cas no. 39577-43-0) is expected to be in the range 1 - 412. This value indicates that the substance is likely to be non Bioaccumulative in aquatic environment as the BCF does not exceed the threshold of 2000.
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