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Diss Factsheets
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EC number: 449-360-4 | CAS number: 647828-16-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Abiotic degradation
Air: No experimental data on the photo-transformation of the substance in the air is available. Based on estimation with the QSAR model AopWin (v1.93), the substance using its SMILES notation CC1C(C)(C)C2CCC3CC(C)(C)OC3C2C1(C)C undergoes in air rapid degradation after reaction with hydroxyl radicals (ozone could not be estimated). The DT50 value after reaction with hydroxyl radicals is 4.675 hours (based on 12-hour time frame and 1.5E+06 OH radicals/cm3; AOPWIN default settings). Based on the half-life, the substance will not reach the stratosphere and is not a long-range transported chemical in the 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). The half-life in the air is not used in the risk characterisation because it is not an experimental value.
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 2% degradation after 28 days in an OECD TG 301B test.
Bioaccumulation
Bioaccumulation in aquatic and terrestrial species is based on the available information (log Kow and calculated BCF values). The BCFs for aquatic and terrestrial organisms were calculated using QSARs of Veith et al. (1979) and Jager (1998), both incorporated in the EUSES model, and yielded values of 1140 and 316 L/kg ww, respectively, using a log Kow of 4.42.
Transport and distribution
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. The QSAR is scientifically valid. The test substance can be considered a hydrophobic substance because it mainly consists of hydrocarbons and only one oxygen. Therefore the substance is in the applicability domain of the QSAR.
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 and 4.42 log Kow) 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 ready 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
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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