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Environmental fate & pathways

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Adsorption /desorption:

The Soil Adsorption Coefficient i.e Koc value of 4-chloro-1-methylpiperidinium chloride (CAS No: 5382-23-0) was estimated using EPI suite KOCWIN Program (v2.00) as 86.32 L/kg(log Koc= 1.9361)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance 4-chloro-1-methylpiperidinium chloride has low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Additional information

Adsorption /desorption:

Different studies have been conducted to predict the adsorption coefficient of target chemical4-chloro-1-methylpiperidinium chloride (CAS No: 5382-23-0) and their results are summarized.

First study was conducted to estimate Soil Adsorption Coefficient i.e Koc value of 4-chloro-1-methylpiperidinium chloride (CAS No: 5382-23-0) by using EPI suite (Estimation Program Interface, 2017) KOCWIN Program (v2.00) as 86.32 L/kg (log Koc= 1.9361) by means of MCI method at 25 deg.C.

Another study was conducted to estimate Soil Adsorption Coefficient i.e Koc value of test substance 4-chloro-1-methylpiperidinium chloride using Adsorption Coefficient module (v12.1.0.50374) program of of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). The estimated Koc value was in range of 1.54-104 dimensionless (log Koc=0.18-2.01) at pH range 6-9 this log koc value range indicates that the test chemical 4-chloro-1-methylpiperidinium chloride has negligible to low sorption to soil and sediments and therefore have rapid migration potential to ground water.

 

Last prediction was 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-chloro-1-methylpiperidinium chloride (CAS No: 5382-23-0) was estimated to be 73.8 L/kg (log Koc = 1.86) .The predicted Koc result based on the 5 OECD principles.

By compiling all the results of above mentioned studies for target chemical 4-chloro-1-methylpiperidinium chloride (CAS No: 5382-23-0) all Koc value falls in range of 1.54-104 (log Koc range = 0.18-2.01) which indicates that the target chemical 4-chloro-1-methylpiperidinium chloride has negligible to low sorption to soil and sediments and therefore have rapid migration potential to ground water.