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Diss Factsheets
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EC number: 205-502-5 | CAS number: 141-79-7
- 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
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 100
- Absorption rate - dermal (%):
- 50
- Absorption rate - inhalation (%):
- 100
Additional information
There is no toxicokinetics, metabolism and distribution data available on mesityl oxide (4-methylpent-3-en-2-one). Therefore, the assessment of the toxicokinetics of 4-methylpent-3-en-2-one is based on the available toxicological data and the physicochemical properties as suggested by the REACH Guidance Chapter R.7c:
Molecular weight: 98.14 g/mole
Water solubility: 27 g/L at 20°C
Partition coefficient log Kow = 1.37
ABSORPTION
Oral route
According to the REACH Guidance, the physicochemical characteristics of 4-methylpent-3-en-2-one (log Kow 1.37) and the molecular mass (98.14 g/mol) are in a range suggestive of absorption as such from the gastro-intestinal tract subsequent to oral ingestion. This assumption of oral absorption is confirmed by the mortality observed at 2000 mg/kg bw in the acute oral toxicity study (Corvaro, 2010). Therefore, the oral absorption of4-methylpent-3-en-2-onecan be assumed to be 100% for risk assessment.
Inhalation route
According to the REACH Guidance, the physicochemical characteristics of 4-methylpent-3-en-2-one (log Kow 1.37) and the molecular mass (98.14 g/mol) are in a range suggestive of absorption as such from the respiratory subsequent to inhalation exposure. This assumption of absorption is confirmed by the LC50 of 4.53 mg/L in the acute inhalation toxicity study (Hine et al., 1960), which is equivalent to an internal dose of 860 mg/kg, assuming an inhalation absorption of 100%.
Dermal absorption
According to the REACH Guidance, the n-Octanol/water partition coefficient ((log Kow), the water solubility and molecular weight of 4-methylpent-3-en-2-oneare in ranges which favour dermal absorption. However, the acute dermal LD50 of 5150 mg/kg (Topping et al., 1994) compared to the LC 100 of 2000 mg/kg in the acute oral toxicity study (Corvaro, 2010) indicates a lower dermal absorption compared to the oral route. In such circumstances a dermal absorption of 10% is usually used, however by precaution, a dermal absorption of 50% will be used for risk assessment.
DISTRIBUTION and METABOLISM
According to the REACH Guidance, as a small molecule a wide distribution of 4-methylpent-3-en-2-one is expected.
Patty's Toxicology states that "information on the metabolism of 4-methylpent-3-en-2-one is fragmentary. It has been reported that metabolism occurs through formation of a glucuronide".
ELIMINATION
According to the REACH Guidance, the n-Octanol/water partition coefficient (log Pow of 1.37) is not suggestive of accumulation of unchanged 4-methylpent-3-en-2-one in fatty tissues subsequent to absorption. While absorbed 4-methylpent-3-en-2-one
is reduced in the body to an appreciable extent, repeated exposure of animals to non-lethal concentrations suggests that 4-methylpent-3-en-2-one is probably not rapidly eliminated. After frequent exposures, blood concentrations can reach anesthetic levels (HSDB, 2005).
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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