Registration Dossier
Registration Dossier
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EC number: 204-504-3 | CAS number: 121-89-1
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption:
Authorative database HSDB suggest that based on an experimental log/octanol water partition coefficient of 1.42, a soil adsorption coefficient of 141 (i.e Log Koc=2.149) can be calculated for 3'-nitroacetophenone using an appropriate regression equation. This value indicates that 3'-nitroacetophenone (i.e m-nitroacetophenone) will display high mobility in soil.
Additional information
Adsorption / desorption:
Four studies including one experimental and remaining three from validated predicted models for adsorption endpoint of the target chemical 3'-nitroacetophenone (CAS no. 121-89-1) were reviewed to summarize as follows:
First study from authorative database i.e HSDB; 2017 suggest that the based on an experimental log/octanol water partition coefficient of 1.42, a soil adsorption coefficient of 141 (i.e Log Koc=2.149) can be calculated for 3'-nitroacetophenone using an appropriate regression equation. This value indicates that 3'-nitroacetophenone (i.e m-nitroacetophenone) will display high mobility in soil.
And Soil Adsorption Coefficient i.e Koc value of 3'-nitroacetophenone was estimated using EPI suite KOCWIN (v2.00) program as Koc 80.52 L/kg(log Koc=1.905) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 3'-nitroacetophenone has a low sorption to soil and sediment and therefore have moderate migration potential to groundwater.
Above results supported by predicted database SciFinder, American Chemical Society (ACS); 2017 which indicate the soil adsorption coefficient i.e Koc value of test substance 3'-nitroacetophenone was estimated to be 141 L/Kg i.e Log Koc= 2.149 at pH 1-10 and temperature 25 deg.C.
Another predicted result from Chemspider - ACD/PhysChem Suite also support to all results i.e the soil adsorption coefficient i.e Koc value of test substance 3'-nitroacetophenone was estimated to be 157 i.e Log Koc= 2.195 at pH 5.5 7.4 at temp.25 deg.C.This Koc value indicates that the substance 3'-nitroacetophenoneh as low sorption to soil and sediment and therefore have moderate migration potential to groundwater.
All three predicted data give assistance to experimental result and the log KOC value is in range 1.905-2.149 (L/Kg or dimensionless)
Thus based on the above all available adsorption values (log Koc) concluded that target chemical 3'-nitroacetophenone(Cas no. 121-89-1) is expected to have high to moderate mobility in soil and sediment compartment.
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