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Diss Factsheets
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EC number: 209-693-6 | CAS number: 590-90-9
- 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
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, well-documented publication which meets basic scientific principles.
Data source
Reference
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 2 013
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The reaction of the OH radicals with 4-hydroxy-2-butanone was investigated in the gas phase using an absolute rate method at room temperature and over the pressure range 10−330 Torr in He and air as diluent gases. The rate coefficients were measured using pulsed laser photolysis (PLP) of H2O2 to produce OH and laser induced fluorescence (LIF) to measure the OH temporal profile.
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 4-hydroxybutan-2-one
- EC Number:
- 209-693-6
- EC Name:
- 4-hydroxybutan-2-one
- Cas Number:
- 590-90-9
- Molecular formula:
- C4H8O2
- IUPAC Name:
- 4-hydroxybutan-2-one
- Details on test material:
- - Name of test material (as cited in study report): 4‑Hydroxy-2-Butanone (4H2B)
- Purity: >95%. After receivng the sample, it was further purified to 98.5% by fractional distillation under a pressure of 15 Torr by using a Vigreux Column.
- Impurities: impurities were mainly 4-(acetyloxy)-2-butanone, 4-hydroxy-4-methyl-2-pentanone, and methyl vinyl ketone at the following concentrations: 0.90%, 0.48%, and 0.13%, respectively.
Constituent 1
Study design
- Light source:
- other: 266 nm pulsed laser
- Light spectrum: wavelength in nm:
- 266
- Details on test conditions:
- RATE COEFFICIENT MEASUREMENTS:
Kinetic decays were determined by recording the variation in the LIF signal as a function of the time delay between the pulses from the photolysis and probe lasers. These measurements were carried out at 294 ± 1 K and over a wide range of pressure varying from 10 to 330 Torr with helium and purified air bath gases. Kinetic decays were observed by recording the variation in the LIF signal as a function of the time delay between the pulses from the photolysis and probe lasers. The profiles were fitted to single exponential functions leading to the extraction of pseudo-first order rate coefficients related to the rate of loss of OH radicals. The pseudo-first order rate coefficients varied linearly with the 4H2B concentration and the value of k is obtained as the slope of least-squares fits of these data. The second-order rate coefficient k was determined by measuring approximately 10 pseudo-first order rate coefficients spanning more than a factor of 10 in 4H2B concentration.
DETERMINATION OF LIFETIME:
The experimentally determined rate coefficient was combined with the average tropospheric concentration of OH radicals to assess the major atmospheric loss process of 4H2B and its atmospheric lifetime. The lifetime was calculated by using a 24 h daytime average global tropospheric OH radical concentration of 1E+06 molecules cm−3.
VAPOUR PRESSURE:
The investigated kinetic study required accurate measurements of the vapor pressure of 4-hydroxy-2-butanone, which was measured using a static apparatus. The vapor pressure was found to range from 0.056 to 7.11 Torr between 254 and 323 K.
- Reference substance:
- not specified
Results and discussion
- Test performance:
- The overall error in the rate coefficient values reported in this work is estimated to be about 25% arising from both statistical and systematic errors.
- Quantum yield (for direct photolysis):
- 0.3
Any other information on results incl. tables
TROPOSPHERIC LIFETIMES:
For the reaction of OH radicals with 4H2B a troposperic lifetime of 2.4 days was calculated through the Arrhenius equation by using the experimentally determined average rate constant (4.8±1.2 E-12 cm3· molecule-1·s-1) with a 24-h average OH concentration of 1E+06 molecules cm−3.
Applicant's summary and conclusion
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