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
Abiotic degradation
Air: Based on estimation with the QSAR model Aopwin the substance undergoes in air rapid degradation after reaction with hydroxyl radicals. The DT50 value after reaction with hydroxyl radicals is 12.6 hours. No ozone reaction estimation could be made with AopWin. Based on this half-live, the substance will not reach the stratosphere and is therefore not considered to be a long-range transported chemical in air. The substance does not have an ozone depletion potential because it does not contain halogens and does not have the potential to reach the stratosphere (EU CLP, EC no 1272/2008 and its amendments).
Water: The substance is hydrolytically stable in an OECD TG 111 study at pH 4, 7 and 9 at 25°C (DT50> 1 year).
Biotic degradation
In the key study (OECD TG 301B) activated sewage sludge from an STP treating predominantly domestic sewage was exposed to 5 mg/L substance for 28 days. In this test 0% biodegradation was observed at day 28. Therefore, the substance is not readily biodegradable.
Bioaccumulation
Bioaccumulation in aquatic species is available from a study equivalent to OECD TG 305. The substance has a BCFss of 634 L/kg. Bioaccumulation in terrestrial species is based on the available information (log Kow and calculated BCF value). The BCF for terrestrial organisms was calculated using the QSAR of Jager (1998), incorporated in the EUSES model, and yielded a value of 3230 L/kg ww using a log Kow of 5.43.
Transport and distribution
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
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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