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EC number: 267-135-7 | CAS number: 67801-15-4
- 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
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
The water solubility has been determined to be 39 mg/L at 25 °C.
Key value for chemical safety assessment
- Water solubility:
- 39 mg/L
- at the temperature of:
- 25 °C
Additional information
The water solubility of the test substance was determined using validated QSAR software. Two models were available within the EPISuite program, WSKOWWIN and WATERNT. WSKOWWIN estimates the water solubility of the substance based on the partition coefficient of the substance, WATERNT estimates the water solubility based on a fragment contribution method. Using these two QSARs, the predicted water solubility for Ebanone was 13 mg/L and 39 mg/L, respectively. WSKOWWIN was predicted using an estimated Log Kow and is considered to have underestimated the solubility of the test substance. Taking into consideration analogue data (see following paragraph), the WATERNT model is considered more suitable and was chosen as the key study for this endpoint.
A supporting study was provided in the form of a water solubility study on the analogue substance, Ebanol. The water solubility was determined by the flask method in line with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 (30 May 2008), 105 of the OECD Guidelines for testing of Chemicals (27 July 1995) and Method 830.7840 of the OPPTS Guidelines. The water solubility of the analogue substance was determined to be 34.1mg/L at 20°C. The measured water solubility for the analogue substance, Ebanol, has been included in the dossier to demonstrate comparability in the physical-chemical properties between the two substances since data on Ebanol has been used in this dossier to address certain endpoints for 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-one (Ebanone) on the basis of read-cross (for further details see read-across justification document, attached in section 13). For the purposes of comparison when estimating the water solubility of the analogue substance, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-ol (Ebanol), which has both an experimentally derived water solubility value and partition coefficient, the WATERNT model was found to be more suitable. Although no domain is defined for this model, it is suggested that to improve accuracy of the prediction, the substance falls within the limits of the training set used to derive the model. The substance was found to be within these limits.
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