Registration Dossier
Registration Dossier
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EC number: 239-816-9 | CAS number: 15721-78-5
Endpoint summary
Administrative data
Description of key information
Adsorption/dessorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 2.346e+006 L/kg (log Koc= 6.3703) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical has very strong sorption to soil and therefore test chemical has negligible migration potential to ground water.
Additional information
Adsorption/dessorption:
Various studies have been reviewed for test chemical and its read across chemical for adsorption coefficient endpoint and their results are summarized below.
In first study the the Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 2.346e+006 L/kg (log Koc= 6.3703) by means of MCI method at 25 deg. C.
In another study the Soil Adsorption Coefficient i.e log Koc value of test substance was estimated using Adsorption Coefficient module (v12.1.0.50374) program as log Koc 6.7 dimensionless at pH range 3 -14.
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption coefficient i.e KOC for test substance was estimated to be 35900 L/kg (log Koc = 4.5550). The predicted KOC result was based on the 5 OECD principles.
Last study was reviewed from authoritative database (HSDB) in this the adsorption coefficient (Koc) value was calculated using a structure estimation method. The adsorption coefficient (Koc) value of test substance was estimated to be 50,000 (Log Koc = 4.698).
By considering results of all the studies mentioned above the log koc value of test chemical can be in range 4.55 -6.7. This range log Koc value indicates that the test chemical has a very strong sorption to soil and sediment and therefore has negligible migration potential to ground water.
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