Registration Dossier
Registration Dossier
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EC number: 220-476-5 | CAS number: 2778-96-3
Endpoint summary
Administrative data
Description of key information
The Soil Adsorption Coefficient i.e Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as Koc 1281000000 L/kg (log Koc = 9.10) by means of MCI method at 25 deg.C. This Koc value indicates that the substance has a very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
Additional information
Four studies including predicted data from validated models and experimental study from authoritative database for adsorption (KOC) endpoint of target chemical with relevant read across chemicals which is structurally similar to target were summarized as follows:
First study from prediction using KOCWIN model (v2.00) of EPI suite which indicated the adsorption value of test chemical was estimated as Koc 1281000000 L/kg (log Koc = 9.10) by means of MCI method at 25 deg.C. This Koc value indicates that the substance has a very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
Another prediction model i.e Chemspider - ACD/PhysChem Suite and Scifinder database for target indicate the soil adsorption coefficient i.e Koc value of test substance was estimated to be 10000000(Log koc-7) at pH 1-10 and temperature 25 deg.C. Koc values at mentioned range of pH indicates that the substance has very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
Above predicted value for target chemical supported by experimental data of test chemical in which the average Koc of test chemical using three standard USEPA sediments (supplied and characterized by the EPA) was measured as 1200000 (Log Koc-6.07).This Koc value suggests that test chemmical is expected to has a very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
Another study was also experimental study from same source as mentioned in above study (HSDB) in this study the KOC value was estimated by using a structure estimation method based on molecular connectivity indices, the Koc of test cheemical was estimated to be 10000000000 (Log Koc-10).This estimated Koc value suggests that test chemical is expected to has a very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
Last Adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical. The adsorption coefficient (Koc) value of test chemical was estimated to be 9X106(Log Koc = 6.95). This Koc value indicates that thetest chemical has very strong sorption to soil and sediment and therefore has negligible migration potential to groundwater.
Thus all available studies for target chemicaland its structurally smilar read across chemicals of adsorption endpoint gives the common conclusion that the test substance is expected to has a very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
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