Registration Dossier
Registration Dossier
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EC number: 205-447-7 | CAS number: 141-01-5
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption:
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 i.e Koc for test substance was estimated to be 8.69 dimensionless. (Log Koc is 0.939). This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Additional information
Adsorption/desorption:
Summarized result for the determination of adsorption of test chemical and structurally and functionally similar read across chemicals are as mentioned below:
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 i.e Koc for test substance was estimated to be 8.69 dimensionless. (Log Koc is 0.939). This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Above data further supported by the second weight of evidence report. The Koc of test chemical was determined using a structure estimation method based on molecular connectivity indices. The Koc of test chemical can be estimated to be 7 (Log Koc is 0.845), using a structure estimation method based on molecular connectivity indices. This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Based on the data obtained from the authoritative database, the Koc of test chemical was determined using a structure estimation method based on molecular connectivity indices. The Koc of test chemical can be estimated to be 7 (Log Koc is 0.845), using a structure estimation method based on molecular connectivity indices. This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Thus, on the basis of above all data from various sources, the log Koc value of test chemical ranges from 0.845 to 0.939, which indicates that the chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
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