Registration Dossier
Registration Dossier
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EC number: 449-360-4 | CAS number: 647828-16-8
Endpoint summary
Administrative data
Description of key information
The adsorption potential of the substance was determined with the HPLC screening study according to OECD TG 121. The retention time of the substance could not be determined because it was much higher than the reference substance DDT (RT was 67 minutes), which may partly be due to the substance viscosity, though information on this is not available. For the risk assessment, a point value is needed to estimate the partitioning between sludge and water, sediment and water and soil in water. In addition, the Koc value is needed for the PNEC derivation for sediment and soil. In this case, the following QSAR equation can be used: log Koc = 0.81 log Kow + 0.10, according to Sablic et al. (1995) on hydrophobics. This results in a Koc = 4790 L/kg and log Koc = 3.68 L/kg.
A Henry's law constant of 222 Pa·m³/mol (at 12 °C) was calculated in EUSES (Vapour pressure 0.38 Pa (at 25°C), 264 g/mol molecular weight and 0.202 mg/L water solubility (at 20 °C)).
Based on Level III environmental distribution modelling using EPISUITE (assuming equal and continuous releases to air, water and soil) using the Smiles CC1C(C)(C)C2CCC3CC(C)(C)OC3C2C1(C)C and the measured physico-chemical parameters (0.202 mg/L water solubility, 4.42 log Kow, and 0.38 Pa vapour pressure) as input, it is estimated that the majority of the substance released to the environment will partition mainly into soil (85.2%), water (6.47%) and sediment (7.76%) with small amounts to air (0.53%).
The SimpleTreat model, which is incorporated in EUSES, simulates the distribution of the substance in a Sewage Treatment Plant (STP) based on vapour pressure, water solubility, log Koc and biodegradability. Model calculations show that none of the substance will be degraded and that 54.7%, 16.4% and 28.9% will partition to air, water and sewage sludge, respectively.
Additional information
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