Basic information Description References Safety Related Supplier
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Basic information Description References Safety Related Supplier
2-Octanone Basic information
2-Octanone Chemical Properties
  • Melting point:-16 °C
  • Boiling point:173 °C(lit.)
  • Density 0.819 g/mL at 25 °C(lit.)
  • FEMA 2802 | 2-OCTANONE
  • refractive index n20/D 1.416(lit.)
  • Flash point:133 °F
  • storage temp. Store below +30°C.
  • solubility 0.9g/l
  • form Liquid
  • color Clear colorless to very slightly yellow
  • Water Solubility 0.9 g/L
  • Merck 14,4711
  • JECFA Number288
  • BRN 635843
  • Stability:Stable. Incompatible with strong oxidizing agents. Flammable.
  • CAS DataBase Reference111-13-7(CAS DataBase Reference)
  • NIST Chemistry Reference2-Octanone(111-13-7)
  • EPA Substance Registry System2-Octanone (111-13-7)
Safety Information
  • Hazard Codes Xn
  • Risk Statements 21-10
  • Safety Statements 36/37-16
  • RIDADR UN 1224 3/PG 3
  • WGK Germany 1
  • RTECS RH1484000
  • TSCA Yes
  • HazardClass 3
  • PackingGroup III
  • HS Code 29141990
  • Hazardous Substances Data111-13-7(Hazardous Substances Data)
  • ToxicityBoth the acute oral LD50 in rats and the acute dermal LD50 in rabbits exceeded 5 g/kg (Moreno, 1973).
2-Octanone Usage And Synthesis
  • Description2-octanone is a kind of natural ketone found in many sources such as coco, baked peanuts, potato, cheese, beer, banana and oranges. It can be used as a flavor and fragrance ingredient. It is used in the field of fiber, medicine, pesticides and spices for the synthesis of fiber oil, defoamer and the preparation of surfactants, coal flotation agent.
  • References[1]Bangs, William E., and G. A. Reineccius. "Influence of Dryer In feed Matrices on the Retention of Volatile Flavor Compounds During Spray Drying." Journal of Food Science 47.1(1982):254-259. Kida, T, et al. "New cleavable surfactants derived from glucono-1,5-lactone. " Journal of the American Oil Chemists’ Society 71.7(1994):705-710.
    [2]Tan, Guan Huat, and Lukman Bola Abdulra'uf. "Recent developments and applications of microextraction techniques for the analysis of pesticide residues in fruits and vegetables." Pesticides-Recent Trends in Pesticide Residue Assay. InTech, 2012.
  • Description2-Octanone has a floral and bitter, green, fruity (unripe apple) odor with a bitter camphoraceous taste. May be synthesized by the oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid; also by oxidation of 2-octanol over zinc oxide at 330 - 340°C.
  • Chemical Properties2-Octanone has a floral and bitter, green, fruity (unripe apple) odor and bitter, camphoraceous taste.
  • Chemical PropertiesColorless liquid; pleasant odor; cam-phor taste. Insoluble in water; solublein alcohol, hydrocarbons, ether, esters, etc. Com-bustible.
  • OccurrenceReported found in apple, apricot, banana, cranberry, grape, raisin, papaya, peach, raspberry, strawberry, leek, peas, clove, wheat bread, many cheeses, butter, milk, cooked egg, yogurt, caviar, fatty fish, meats, beer, hop oil beer, cognac, rum, grape wines, cocoa, coffee, tea, roasted filberts and peanuts, pecans, potato chips, oats, soybean, olive, beans, walnut, trassi, mushroom, fig, rice, buckwheat, quince, sweet corn, corn oil, malt, wort, krill, Bourbon vanilla, mountain papaya, shrimp, crab, crayfish, clam, truffle, maté and mastic gum oil.
  • UsesPerfumes, high-boiling solvent, especiallyfor epoxy resin coatings, leather finishes, flavor-ing, odorant, antiblushing agent for nitrocelluloselacquers.
  • DefinitionChEBI: A methyl ketone that is octane substituted by an oxo group at position 2.
  • Production Methods2-Octanone can be produced by oxidation of methyl hexyl carbinol, 2-octanol, or 1-octene or by reductive condensation of acetone with pentanol. Commercial samples can have a purity of 98%.
  • PreparationBy oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid; also by oxidation of 2-octanol over zinc oxide at 330 to 340°C.
  • Aroma threshold valuesDetection: 41 to 62 ppb
  • Taste threshold valuesTaste characteristics at 10 ppm: dairy, waxy, cheese, woody, mushroom and yeast.
  • Synthesis Reference(s)The Journal of Organic Chemistry, 56, p. 5924, 1991 DOI: 10.1021/jo00020a040
    Tetrahedron Letters, 26, p. 2107, 1985 DOI: 10.1016/S0040-4039(00)94791-9
  • Industrial usesMethyl n-hexyl ketone is used as solvent for vinyl compounds and dyes and is suitable for dispersing dyes in light-weight petroleum oils for newsprint inks.
  • Safety ProfilePoison by ingestion. Moderately toxic by intraperitoned route. A sktn irritant. Flammable liquid when exposed to heat, flame, or oxidizers. To fight fire, use foam, alcohol foam. When heated to decomposition it emits acrid smoke and irritating fumes. See also ETHER and KETONES.
2-Octanone Preparation Products And Raw materials
2-Octanone(111-13-7)Related Product Information
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