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2-Hexanone

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Hexan-2-one
Skeletal formula of hexan-2-one
Ball-and-stick model of hexan-2-one
Names
IUPAC name Hexan-2-one
Other names Methyl butyl ketone; methyl n-butyl ketone; MNBK; Butyl methyl ketone; 2-Hexanone; MBK; n-butyl methyl ketone; Propylacetone
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard 100.008.848 Edit this at Wikidata
EC Number
  • 209-731-1
PubChem CID
RTECS number
  • MP1400000
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3Key: QQZOPKMRPOGIEB-UHFFFAOYSA-N
  • InChI=1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3Key: QQZOPKMRPOGIEB-UHFFFAOYAQ
SMILES
  • O=C(C)CCCC
Properties
Chemical formula C6H12O
Molar mass 100.161 g·mol
Appearance Colorless to light yellow liquid
Density 0.8113 g/cm³
Melting point −55.5 °C (−67.9 °F; 217.7 K)
Boiling point 127.6 °C (261.7 °F; 400.8 K)
Solubility in water 1.4% (14 g/L)
Vapor pressure 12 mm of Hg (@ 20°C)
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 3 0
Flash point 25 °C
Lethal dose or concentration (LD, LC):
LD50 (median dose) 2590 mg/kg (oral, rat), 2430 mg/kg (oral, mouse), 4860 mg/kg (dermal, rabbit)
NIOSH (US health exposure limits):
PEL (Permissible) TWA 100 ppm (410 mg/m)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound


Hexan-2-one is the organic compound with the formula C4H9COCH3. This colorless to pale yellow liquid has a sharp odor. It is a ketone and often known either as MBK (methyl butyl ketone) or 2-hexanone. It has moderate water solubility, and can evaporate easily into the air as a vapor. Hexan-2-one was used in the past in paint and paint thinner, to make other chemical substances, and to dissolve oils and waxes.

Sources

  1. Merck Index, 11th Edition, 5955.
  2. CRC Handbook of Chemistry and Physics, 75th ed. (1995)
  3. NIOSH Pocket Guide to Chemical Hazards (August 2006)
  4. 2-Hexanone at chemicalland21.com

External links

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