Registration Dossier
Registration Dossier
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EC number: 801-093-8 | CAS number: 1315251-11-6
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 and ozone. The DT50 value after reaction with hydroxyl radicals is 3.33 hours and for ozone it was estimated 2.02 hours. Based on these half-lives, 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:
Substance is not readily biodegradable and shows 20 % degradation in an OECD TG 301B study.
Bioaccumulation:
Aquatic bioaccumulation: The bioconcentration of the substance in Bluegill sunfish (Lepomis macrochirus) was determined in a GLP-compliant OECD TG 305 study. In this study, the steady-state (lipid normalised) BCF value at a nominal test concentration of 0.04 mg/L (based on total radioactivity) was 513 L/kg in whole fish tissue.
Terrestrial bioaccumulation:The BCF for terrestrial organisms was calculated based on log Kow of 5.11, using the QSAR of Jager (1998) incorporated in the EUSES model, and yielded a value of 1550 L/kg w.w.
Transport and distribution:
The adsorption potential of the substance was determined in a study according to OECD TG 106 ( Batch Equilibrium Method). Under the conditions of the test, the log Koc of the substance was determined at 3.70 (equivalent Koc = 4923 L/kg). Based on this value the substance has no potential for adsorption to solid surfaces and soil.
A Henry's law constant of 0.439 Pa·m³/mol (at 12 °C) was calculated in EUSES (Vapour pressure 1.6E-02 Pa (at 25°C), 242.36 g/mol molecular weight and 3.95 mg/L water solubility (at 20 °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( CC3(C)C2=C(CCc1cncnc12)C(C)(C)C3C) and the measured physico-chemical parameters (3.95 mg/L water solubility and 5.11 log Kow) as input, it is estimated that the majority of the substance released to the environment will partition mainly into soil (71.5%), water (10.3%) and sediment (18.1%) with small amounts to air (0.0319%).
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 ready biodegradability. Model calculations show that none of the substance will be degraded and that 0.483%, 62.6% and 36.9% will partition to air, water and sewage sludge, respectively.
Additional information
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