Registration Dossier
Registration Dossier
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EC number: 205-413-1 | CAS number: 140-39-6
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
The Soil Adsorption Coefficient i.e Koc value of p-tolyl acetate was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 100.9 L/kg (log Koc=2.0038) by means of MCI method at 25 deg.C. This Koc value indicates that the substance p-tolyl acetate has a low sorption to soil and sediment and show moderate migration potential to groundwater.
Additional information
Adsorption / desorption
By applying weight of evidence approach, soil adsorption potential for the target chemical p-tolyl acetate (Cas no. 140-39-6) and its read across chemical which is 60-70 % structurally similar to target were reviewed to summarize as follows:
Using the prediction model EPI suite (2017) the soil adsorption coefficient (Koc) value of chemical p-tolyl acetate is estimated to be 100.9 L/kg (log KOC = 2.0038) by means of MCI method at 25 deg.C, indicating that it is has a low sorption to soil and sediment and show moderate migration potential to groundwater.
Supporting evidence from chemspider predicted database the soil adsorption coefficient i.e Koc value of test substance p-tolyl acetate was estimated to be 353.17 L/Kg i.e Log Koc= 2.5479 at pH 5.5 and 7.4. This Koc value indicates that the substance p-tolyl acetate has a low sorption to soil and sediment and show moderate migration potential to groundwater.
Other evidence from SciFinder, American Chemical Society (ACS); 2017 prediction database indicated the soil adsorption coefficient i.e Koc value of target substance p-tolyl acetate was estimated to be 323 L/Kg i.e Log Koc= 2.509 at pH 1-10 and temperature 25 deg.C. This Koc value indicates that the substance p-tolyl acetate has a low sorption to soil and sediment and show moderate migration potential to groundwater.
All estimations for target are further supported by the study for read across substance Phenyl acetate (Cas no. 122-79-2) taken from authorative database (HSDB database; 2017)which indicate the Koc of phenyl acetate is estimated as approximately 150, using a log Kow value of 1.49 and a regression-derived equation. This estimated Koc value suggests that phenyl acetate is expected to have moderate mobility in soil.
Based on the above information for the target and read across substance, it can be considered that test substance p-tolyl acetate (Cas no. 140-39-6) has low to moderate mobility in soil/sediment.
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