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2-Hexanone

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(Redirected from Butyl methyl ketone)
2-Hexanone
Skeletal formula of hexan-2-one
Ball-and-stick model of hexan-2-one
Names
Preferred IUPAC name Hexan-2-one
Other names Methyl butyl ketone; Methyl n-butyl ketone; MNBK; Butyl methyl ketone; 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
UNII
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
Odor sharp, acetone-like
Density 0.8113 g/cm
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 1.3 kPa (20 °C)
Magnetic susceptibility (χ) -69.1·10 cm/mol
Refractive index (nD) 1.403 (20 °C)
Viscosity 0.63 mPa·s (20 °C)
Hazards
GHS labelling:
Pictograms GHS02: FlammableGHS07: Exclamation markGHS08: Health hazard
Signal word Danger
Hazard statements H226, H336, H361f, H372
Precautionary statements P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P281, P303+P361+P353, P304+P340, P308+P313, P312, P314, P370+P378, P403+P233, P403+P235, P405, P501
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 (77 °F; 298 K)
Autoignition
temperature 		423 °C (793 °F; 696 K)
Explosive limits ?-8%
Lethal dose or concentration (LD, LC):
LD50 (median dose) 2590 mg/kg (oral, rat)
2430 mg/kg (oral, mouse)
4860 mg/kg (dermal, rabbit)
2590 mg/kg (oral, guinea pig)
LDLo (lowest published) 914 mg/kg (rat, oral)
LC50 (median concentration) 8000 ppm (rat, 4 hr)
LCLo (lowest published) 20,000 ppm (guinea pig, 70 min)
NIOSH (US health exposure limits):
PEL (Permissible) TWA 100 ppm (410 mg/m)
REL (Recommended) TWA 1 ppm (4 mg/m)
IDLH (Immediate danger) 1600 ppm
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

2-Hexanone (methyl butyl ketone, MBK) is a ketone used as a general solvent and in paints. It dissolves cellulose nitrate, vinyl polymers and copolymers, and natural and synthetic resins. It is recommended as a solvent because it is photochemically inactive; however it has a very low safe threshold limit value. 2-Hexanone is absorbed through the lungs, orally and dermally and its metabolite, 2,5-hexanedione, is neurotoxic. Animal tests have shown that the neurotoxic effect of 2-hexanone may be potentiated by simultaneous administration of 2-butanone (methyl ethyl ketone, MEK).

References

  1. Merck Index, 11th Edition, 5955.
  2. CRC Handbook of Chemistry and Physics, 75th ed. (1995)
  3. ^ NIOSH Pocket Guide to Chemical Hazards. "#0325". National Institute for Occupational Safety and Health (NIOSH).
  4. ^ "2-Hexanone". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
  5. Dieter Stoye (2007), "Solvents", Ullmann's Encyclopedia of Industrial Chemistry (7th ed.), Wiley, p. 56
  6. Jerrold B. Leikin; Frank P. Paloucek (2008), "2-Hexanone", Poisoning and Toxicology Handbook (4th ed.), Informa, p. 737
  7. Wilhelm Neier; Günter Strehlke (2007), "2-Butanone", Ullmann's Encyclopedia of Industrial Chemistry (7th ed.), Wiley, p. 6
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