Registration Dossier
Registration Dossier
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EC number: 801-694-5 | CAS number: 1392325-86-8
Endpoint summary
Administrative data
Description of key information
The substance has a log Koc in the range of 4.12 to 4.52 using OECD TG 121. Four peaks were measured of which peak 2 (36.9%) and peak 4 (55.2%) gave log Koc values of 4.19 and 4.52, respectively. A mean of 4.36 will be used for assessment purposes. The related Koc value is 22909 L/kg.
A Henry's law constant of 0.323 Pa·m³/mole (at 12°C) was calculated in EUSES (244 g/mole molecular weight, vapour pressure 0.029 Pa (25°C), and 9.82 mg/L water solubility (25°C)). Based on this value the substance has no potential to partition from water to air under environmental conditions (12°C).
Based on Level III environmental distribution modelling using EPISUITE (assuming equal and continuous releases to air, water and soil) using the SMILES notation (c3ncc2c(n3)C1C(CC2)C(C)(C)C(C)C1(C)C) and the measured physico-chemical parameters (water solubility (25 °C) and log Kow) as input, it is estimated that the majority of the substance released to the environment will partition mainly into soil (71.7%), to sediment (17.7%) and water (10.2%), and a small amount to air (0.48%).
The SimpleTreat model, which is incorporated in EUSES simulates the distribution of the substance in a Sewage Treatment Plant based on vapour pressure, water solubility, log Koc and ready biodegradability. Model calculations show that 0% of the substance will be degraded, and that 69.8%, 30.0%, and 0.2% will partition to sludge, water, and air, respectively.
Additional information
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