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EC number: 265-450-4 | CAS number: 65113-95-3
- 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 was determined to be in the range of 4.32-38.95 mg/L at 25°C.
Key value for chemical safety assessment
Additional information
The water solubility of the multi-constituent substance is presented as a range for the three main constituents.
The water solubility of each constituent was estimated using the validated WSKOWWIN and WATERNT models and is considered to be a good representation of the physical-chemical properties of the substance. The calculation was therefore assigned a reliability score of 2 in accordance with the criteria for assessing data quality, as outlined in Klimisch (1997). The estimated values for the three components are:
3-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (3E)-,CAS 72717-08-9, concentration range 30-50 % w/w in the substance: 4.3215 mg/L (WATERNT); 5.155 mg/L (WSKOWWIN)
4-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (E)-,concentration range 20-30 % w/w in the substance: 38.945 mg/L (WATERNT); 13 mg/L (WSKOWWIN)
5-Hexen-3-one, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (5E)-,CAS 72717-06-7, concentration range 10-20 % w/w in the substance: 23.239 mg/L (WATERNT); 11.05 mg/L (WSKOWWIN)
Taking into consideration the estimated values for the 3 components, the water solubility of MTCP crude is considered to best represented by the range 4.32 to 38.95mg/L.The substance is considered to be slightly soluble according to the interpretation of results in IUCLID (i.e. water solubility in the range of 0.1 to 100 mg/L).
A supporting study was provided in the form of a water solubility study on the read-across substance Ebanol. The water solubility was determined by the flask method in line with EU Method A6, OECD Guideline 105 and Method 830.7840 of the OPPTS Guidelines. The water solubility of the read-across substance was determined to be 34.1 mg/L at 20°C. The results were included 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 MTCP Crude on the basis of read-across (for further details see read-across justification document, attached in section 13).
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