Registration Dossier
Registration Dossier
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EC number: 266-100-3 | CAS number: 66068-84-6
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
KOCWIN model of Estimation Programs Interface was used to predict the soil adsorption coefficient i.e Koc value of test chemical. The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 2827 L/kg (log Koc=3.4513) by means of MCI method (at 25 deg C). This Koc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
Additional information
Adsorption / desorption
Various predicted data of the test chemical were reviewed for the adsorption end point which are summarized as below:
In aprediction done using theKOCWIN Programof Estimation Programs Interface was used to predict the soil adsorption coefficient i.e Koc value of test chemical. The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 2827 L/kg (log Koc=3.4513) by means of MCI method (at 25 deg C). This Koc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
The Soil Adsorption Coefficient i.e Koc value of test chemical was estimated using Adsorption Coefficient module program as Koc 17562, 17561, 17553, 17472 and 16701 at pH range 1-10, 11, 12, 13 and 14, respectively (logKoc - 4.2 ± 1.0)(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)). The logKoc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
Another soil adsorption coefficient i.e Koc value of test chemicalwas estimated using the SciFinder database (2017). The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 18500 (logKoc = 4.267) at pH range 1-10, respectively (at 25 deg C). This Koc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
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 chemical was estimated to be 1840 L/kg (log Koc = 3.268).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the test chemical has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
On the basis of above overall results for test chemical, it can be concluded that the log Koc value of test chemical was estimated to be ranges from3.268to4.267, respectively, indicating that the test chemicalhas a moderate to strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
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