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Adsorption / desorption:

The adsorption endpoint for the target substance 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione (Cas no.81-39-0) studies are summarized as fallowed:


From experimental study (Experiment report-UERL;2016) showed the adsorption coefficient Koc in soil and in sewage sludge3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione(CAS No. 81-39-0)was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to structural similarity of the test substance and calibration graph was prepared. The reference substances were Phenol, 4 methyl aniline, Nitrobenzene, Toluene, Xylene and Direct red 81 having Kocvalue ranging from 1.32 to 3.43.TheLog Kocvalue was found tobe3.266 ± 0.001at 25°C.


From EPI Suite predicted model, 2016the adsorption capacity of the test chemical in soil was estimated using KOCWIN Program (v2.00) from EPI Suite version 4.1. The Koc was estimated using MCI method. The estimated Koc value for the test chemical is 17560 L/kg.

 The test chemical has a corrected log Koc of 4.2446. Based on the classification criterion for PBT, the test chemical has strong sorption to soil and sediment, negligible to slow migration potential to ground water.

Other study fromChemspider - ACD/PhysChem Suite computational model the adsorption coefficient i.e Koc values for the test chemical 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione at pH = 5.4 is 2247.89 (log Koc=3.351)and at pH = 7.4 is 2247.81 (log Koc=3.3517)respectively.

Above both predicted Koc values indicate that the test substance chemical 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione have tendency to strong sorption to soil and sediment.


And study fromSciFinder,Advanced Chemistry Development (ACD/Labs) Software V11.02 computational model the soil adsorption coefficient ( Log Koc) value of 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione is estimated to be Koc=1470 (log Koc-3.167)at pH: 1, Koc= 1880 (log Koc- 3.274)at pH: 2, Koc= 1930 (log Koc- 3.2855)at pH: 3 and Koc= 1940 (log Koc- 3.2878)at pH: 4to 10 respectively at 25 deg C,all these log Koc values at different pH indicating that test substance has a Moderate sorption to soil and sediment.

Thus based on the all above predicted model output it is concluded that the test substance 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione (Cas no.81-39-0) have tendency that Moderate to strong sorption to soil and sediment.