Registration Dossier
Registration Dossier
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EC number: 204-485-1 | CAS number: 121-60-8
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 12.14 L/kg (log Koc=1.0842) 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 Program of Estimation Programs Interface was used to predict the soil adsorption coefficient (Koc) of test chemical. The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 12.14 L/kg (log Koc=1.0842) 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.
Adsorption coefficient (Koc) of test chemical was estimated using Chemspider database (2020). The adsorption coefficient (Koc) of test chemical was estimated to be 144.03 (logKoc = 2.168) at both pH 5.5 and 7.4, respectively. 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.
Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2020) for predicting the adsorption coefficient (Koc) of test chemical. The adsorption coefficient (Koc) of test chemical was estimated to be 71.1 (logKoc = 1.851) (at 25°C and 1-10 pH). 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.
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 269 L/kg (logKoc = 2.42).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 results for test chemical, it can be concluded that the logKoc value of test chemical was evaluated to be ranges from 1.08 to 2.42, respectively indicating that the test chemical has 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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