Registration Dossier
Registration Dossier
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EC number: 276-344-2 | CAS number: 72102-84-2
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 10 L/kg (log Koc=1) by means of MCI method (at 25°C). 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
Various predicted data for the test chemical were reviewed for the adsorption end point which are summarized as below:
In a prediction done using the KOCWIN model of Estimation Programs Interface, 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 10 L/kg (log Koc=1) by means of MCI method (at 25°C). 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.
In a prediction done by using ChemSpider Database,the Soil Adsorption Coefficient i.e Koc value of test chemical was estimated. The adsorption coefficient (Koc) value of test chemical was estimated to be 1 (Log Koc = 0) at both pH 5.5 and 7.4, respectively. 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 soil adsorption coefficient i.e Koc value of test chemical was estimated using the SciFinder database (American Chemical Society (ACS)).The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 7.26 (logKoc = 0.86), 1.05 (logKoc = 0.02) and 1 (logKoc = 0) at pH range 1, 2, 3-10, respectively (at 25°C). 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.
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 51.4 L/kg (logKoc = 1.71) .The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
On the basis of above overall results for target chemical, it can be concluded that the logKoc value of test chemicalranges from0 to 1.71indicating that the test chemicalhas a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.
In addition to this, adsorption endpoint can also be considered for waiver as per in accordance with column 2 of Annex VIII of the REACH regulation, testing for this end point is scientifically not necessary and does not need to be conducted because the substance has a low octanol water partition coefficient and the adsorption potential of the substance is related to this parameter.
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