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3-Pentanone

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3-Pentanone Basic information
3-Pentanone Chemical Properties
  • Melting point:-42 °C (lit.)
  • Boiling point:101.5 °C (lit.)
  • Density 0.813 g/mL at 25 °C (lit.)
  • vapor density 3 (vs air)
  • vapor pressure 20 mm Hg ( 28 °C)
  • refractive index n20/D 1.392(lit.)
  • Flash point:55 °F
  • storage temp. Store below +30°C.
  • solubility water: slightly soluble
  • form Liquid
  • color Clear colorless
  • Relative polarity0.265
  • PH6.2 (50g/l, H2O, 20℃)
  • explosive limit1.6-7.7%(V)
  • Water Solubility 50 g/L (20 ºC)
  • Merck 14,3121
  • BRN 635749
  • Exposure limitsTLV-TWA 705 mg/m3 (200 ppm) (ACGIH).
  • Stability:Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, reducing agents, strong oxidizing agents.
  • InChIKeyFDPIMTJIUBPUKL-UHFFFAOYSA-N
  • CAS DataBase Reference96-22-0(CAS DataBase Reference)
  • NIST Chemistry Reference3-Pentanone(96-22-0)
  • EPA Substance Registry System3-Pentanone (96-22-0)
Safety Information
  • Hazard Codes F,Xi
  • Risk Statements 11-37-66-67
  • Safety Statements 9-16-25-33
  • RIDADR UN 1156 3/PG 2
  • WGK Germany 1
  • RTECS SA8050000
  • Autoignition Temperature845 °F
  • TSCA Yes
  • HS Code 2914 19 90
  • HazardClass 3
  • PackingGroup II
  • Hazardous Substances Data96-22-0(Hazardous Substances Data)
  • ToxicityLD50 orally in rats: 2.1 g/kg, Smyth et al., Arch. Ind. Hyg. Occup. Med. 10, 61 (1954)
MSDS
3-Pentanone Usage And Synthesis
  • Chemical Properties3-Pentanone (also known as diethyl ketone) is a member of the class of compounds known as ketones. It is a colorless liquid ketone with an odor like that of acetone. It is soluble in about 25 parts water, but miscible with organic solvents.3-pentanone is an acetone and ethereal tasting compound and can be found in a number of food items such as strawberry guava, ceylon cinnamon, beech nut, and pak choy, which makes 3-pentanone a potential biomarker for the consumption of these food products.
  • UsesDiethyl ketone is used as a solvent, inmedicine, and in organic synthesis.
  • DefinitionChEBI: A pentanone that is pentane carrying an oxo group at position 3. It has been isolated from Triatoma brasiliensis and Triatoma infestans.
  • General DescriptionA clear colorless liquid with an acetone-like odor. Flash point 55°F. Less dense than water. Vapors heavier than air.
  • Air & Water ReactionsHighly flammable. Slightly soluble in water
  • Reactivity Profile3-Pentanone is incompatible with the following: Strong oxidizers, alkalis, mineral acids, (hydrogen peroxide + nitric acid) .
  • Health HazardLiquid causes eye burn. Vapor irritates eyes, nose and throat; can cause headache, dizziness, nausea, weakness, and loss of consciousness.
  • Health HazardDiethyl ketone is a mild narcotic compoundas well as an irritant. Its acute toxicity is lessthan that of methyl propyl ketone. Exposureto 80,000 ppm for 4 hours was fatal to rats.
    LD50 value, oral (rats): 2140 mg/kg.
  • Fire HazardHIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
  • Safety ProfileModerately toxic by routes. A skin and eye irritant. Mutation data reported. Dangerous fre hazard when exposed to heat or flame; can react vigorously with oxidzing materials. To fight fire, use alcohol foam, foam, CO2, dry chemical. Reacts with hydrogen peroxide + nitric acid to form a shockand heat sensitive explosive peroxide. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
  • Chemical SynthesisKetonic decarboxylation route
    3-Pentanone is produced by ketonic decarboxylation of propanoic acid using metal oxide catalysts:
    2 CH3CH2CO2H → (CH3CH2)2CO + CO2 + H2O
    in the laboratory, the reaction can be conducted in a tube furnace.
    Other way to make 3-pentanone: Acetone + very strong base and then + methylating agent -> butanone. Butanone + very strong base, then + methylating agent -> mixture of 3-methylbutanone and 3-pentanone.
    Synthesis of 3-pentanone from 1-propanol over CeO2–Fe2O3 catalysts
    Vogel's Textbook of Practical Organic Chemistry
  • Purification MethodsDry it with anhydrous CaSO4 or CuSO4, and distil from P2O5 under N2 or under reduced pressure. Further purification is by conversion to the semicarbazone (recrystallise to constant m 139o, from EtOH) which, after drying in vacuo over CaCl2 and paraffin wax, is refluxed for 30minutes with excess oxalic acid, then steam distilled and salted out with K2CO3. Dry with Na2SO4 and distil [Cowan et al. J Chem Soc 171 1940]. [Beilstein 1 IV 3279.]
  • Waste DisposalIncineration; molten salt treatment.
3-Pentanone Preparation Products And Raw materials
3-Pentanone(96-22-0)Related Product Information
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