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Bioaccumulation: aquatic / sediment

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that the test chemical 4-Methylpiperazin-1-amine is not expected to bio accumulate in the aquatic environment.

Additional information

Bioaccumulation in aquatic and sediments:

Various predicted data for the target compound 4-Methylpiperazin-1-amine (CAS No. 6928-85-4) and supporting weight of evidence study for its read across chemical were reviewed for the bioaccumulation end point which are summarized as below:

From BCFBAF Program (v3.00) model of EPI suite( Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.

Another prediction done by using Bio-concentration Factor (v12.1.0.50374)module of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). Bio-concentration Factor ( BCF) at pH range 1-14 of the chemical 4-methylpiperazin-1-amine ( CAS no.6928 -85 -4) estimated to be 1 dimensionless.

Next predicted Bioconcentration factor (BCF) for test chemical 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) in aquatic organisms by SciFinder database of American Chemical Society ( ACS, 2017) at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance 4-Methylpiperazin-1-amine at pH 1-10 and temperature 25 °C was estimated to be 1 dimensionless.

The Bioconcentration factor (BCF) for test chemical 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) was predicted in aquatic organisms by Chemspider- ACD/PhysChem Suite prediction model ( 2017) at pH 5.5 and pH 7.4.The Bioconcentration factor (BCF) of test substance 4-Methylpiperazin-1-amine at pH 5.5 and pH 7.4 was estimated to be 1 dimensionless. This BCF value suggests that the test chemical 4-Methylpiperazin-1-amine is non bioaccumulative in aquatic organisms.

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-Methylpiperazin-1-amine was estimated to be 2.42 dimensionless . The predicted BCF value is based on the 5 OECD principles.

In a supporting weight of evidence study for Environmental Bioconcentration factor of read across chemical Piperazine (CAS No: 110-85-0) was performed in orange-red killifish (Oryzias latipes). In this test, Orange-red killifish (Oryzias latipes) were exposed to 1 and 0.1 ppm of read across chemical over an 8-week period. BCF values less than 0.3 to 0.9 and less than 3.9 were measured at concentrations 1 and 0.1 ppm, respectively. According to a classification scheme, these BCF values suggest the potential for bioconcentration of read across chemical Piperazine (CAS No: 110-85-0) in aquatic organisms is low.

In another weight of evidence study for read across chemical 1, 4-diaminobenzene (CAS No: 106-50-3) was obtained from authoritative HSDB database. An estimated BCF of 0.3 dimensionless was calculated for 1, 4-diaminobenzene, using a log Kow of -0.3 and a regression-derived equation. According to a classification scheme, this BCF suggests the potential for bioconcentration of read cross chemical 1, 4-diaminobenzene in aquatic organisms is low.

On the basis of above results for target chemical 4-Methylpiperazin-1-amine (from EPI suite, ACD labs, Sci Finder database, Chemspider and CompTox Chemistry Dashboard 2017) and for its read across chemicals (From HSDB) it can be concluded that the BCF value of test substance 4-Methylpiperazin-1-amine ranges from 1-3.162 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4-Methylpiperazin-1-amine is expected to be non-bioaccumulative in the food chain.