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Adsorption / desorption

KOCWIN model of Estimation Programs Interface was used to predict the soil adsorption coefficient i.e Koc value of test chemical 1-Propanaminium, 3 -amino-N-(carboxymethyl)- N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts (CAS No. 61789 -40 -0). The soil adsorption coefficient i.e Koc value of 1-Propanaminium, 3-amino-N-(carboxymethyl)- N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts was estimated to be 648 L/kg (log Koc= 2.81) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

Additional information

Adsorption / desorption

Various predicted data for the target compound 1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts (CAS No. 61789-40-0) and supporting weight of evidence study for its structurally similar read across substance were reviewed for the adsorption end point which are summarized as below:

 

In aprediction done using theKOCWIN Programof Estimation Programs Interface was used to predict the soil adsorption coefficient i.e Koc value of test chemical 1-Propanaminium, 3 -amino-N-(carboxymethyl)- N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts (CAS No. 61789 -40 -0). The soil adsorption coefficient i.e Koc value of 1-Propanaminium, 3-amino-N-(carboxymethyl)- N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts was estimated to be 648 L/kg (log Koc= 2.81) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

 

The Soil Adsorption Coefficient i.e Koc value of test substance 1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts (CAS no. 61789 -40 -0) was estimated (ChemSpider Database). The adsorption coefficient (Koc) value of test substance 1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts was estimated to be 143.46 (Log Koc = 2.156) at pH 5.5 and 143.48 (Log Koc = 2.156) at pH 7.4, respectively. This Koc value indicates that the substance   1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

In a supporting weight of evidence study from study report (2017) for the test item,the adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Methanol up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 7.15. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, N-methylbenzamide, Benzamide having Koc value ranging from 1.239 to 2.47. The Log Koc value of test chemical was determined to be 1.8124 ± 0.002 at 25°C. This log Koc value indicates that test substance has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

On the basis of above results for target chemical 1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts(from modelling databases, 2018), it can be concluded that the Koc value of test substance 1,4-Bis(ethenyl)benzene ranges from143.46–648, indicating that the test chemical 1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts has a low to moderate sorption to soil and sediment and therefore have moderate to slow migration potential to ground water.