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Environmental fate & pathways

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Description of key information

Adsorption/ desorption:

The Soil Adsorption Coefficient i.e Koc value of 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 32.41 L/kg (log Koc=1.51) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) has a low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Additional information

Adsorption/ desorption:

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

The Soil Adsorption Coefficient i.e., Koc value of 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) was estimated using EPI suite KOCWIN Program (v2.00) program of Estimation Program Interface ( EPI suite) as Koc 32.41 L/kg (log Koc=1.51) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 4-Methylpiperazin-1-amine has a low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Another prediction done to estimate the Soil Adsorption Coefficient i.e Koc value of test substance 4-methylpiperazin-1-amine by using Adsorption Coefficient module (v12.1.0.50374) program of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) at different pH. The estimated Koc value is 1 dimensionless (log Koc= 0) at pH range 0-9, Koc 3.02 dimensionless ( log koc=0.5) at pH 10, Koc range from 4.01 to 4.16 dimensionless( log koc =0.6) at pH 11-14. By considering log Koc values at pH 6, 7 and 8 indicate that the 4-methylpiperazin-1-amine has a negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.

Next prediction done by using SciFinder database of American Chemical Society (ACS, 2017) to estimate Soil Adsorption coefficient of the test chemical 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) at pH 1-10 and temperature 25 °C. The adsorption coefficient i.e Koc value of test substance 4-Methylpiperazin-1-amine estimated was 1 (log Koc= 0) and 3.9 dimensionless (log Koc =0.59) at pH 1-9 and at pH 10 respectively at temperature 25 °C. These Koc values indicate that the test chemical 4-Methylpiperazin-1-amine has negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.

Soil Adsorption/Mobility study was conducted for the test chemical 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) to estimate its Koc value by using the Chemspider - ACD/PhysChem Suite 2017 at pH 5.5 and pH 7.4 .The adsorption coefficient i.e Koc value of test substance 4-Methylpiperazin-1-amine at pH 5.5 and pH 7.4 was estimated to be 1. This Koc value at pH 5.5 and pH 7.4 indicates that the test chemical 4-Methylpiperazin-1-amine has negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.

Last prediction 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 adsorption coefficient i.e KOC for test substance 4 -methylpiperazin-1 -amine (CAS no. 6928 -85 -4) was estimated to be 73.3 L/kg (log Koc = 1.86) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 4 -methylpiperazin-1 -amine has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

In a supporting weight of evidence Soil Adsorption/Mobility study was conducted for the read across chemical Piperazine (CAS No: 110-85-0) to estimate its Koc value using a log Kow of -1.50 and a regression-derived equation from authoritative database HSDB ( Hazardous Substance Data Bank, 2017) The adsorption coefficient i.e Koc value of read across substance Piperazine was estimated to be 3.6 (log Koc: 0.55). According to a classification scheme, this log Koc value suggests that Piperazine has negligible sorption to soil and sediment, and therefore have rapid migration potential to ground water.

Another supporting weight of evidence Soil Adsorption/ Mobility study was carried out for the read across chemical 1,4-diaminobenzene (CAS No: 106-50-3) by using a log Kow of -0.3 and a regression-derived equation from same source as mentioned above HSDB. The Koc value estimated was 16 (log Koc=1.20). Based on a recommended classification scheme, log Koc value indicates that 1,4 -diaminobenzene has negligible sorption to soil and sediment, and therefore have rapid migration potential to ground water.

On the basis of above results for target chemical 4-Methylpiperazin-1-amine(from EPI suite, ACD labs, Sci Finder database, Comptox chemistry dashboard and Chemspider 2017) and for its read across chemicals (From authoritative database HSDB) it can be concluded that the log Koc value of test substance 4-Methylpiperazin-1-amine ranges from 0 to 1.86 indicating that the chemical 4-Methylpiperazin-1-amine has negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.