2-Hexanone

2-Hexanone^[1]^[2]
Names
	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	591-78-6 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL195861 ;
ChemSpider	11095 ;
ECHA InfoCard	100.008.848
EC Number	209-731-1;
PubChem CID	11583;
RTECS number	MP1400000;
UNII	6QDY60NH6N ;
CompTox Dashboard (EPA)	DTXSID0022068 ;
	InChI InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3 Key: QQZOPKMRPOGIEB-UHFFFAOYSA-N ; InChI=1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3 Key: QQZOPKMRPOGIEB-UHFFFAOYAQ;
	SMILES O=C(C)CCCC;
Properties
Chemical formula	C6H12O
Molar mass	100.161 g·mol−1
Appearance	Colorless to light yellow liquid
Odor	sharp, acetone-like
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	1.3 kPa (20 °C)
Magnetic susceptibility (χ)	-69.1·10−6 cm3/mol
Refractive index (nD)	1.403 (20 °C)
Viscosity	0.63 mPa·s (20 °C)
Hazards
	GHS labelling:
Pictograms
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)	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/m3)
REL (Recommended)	TWA 1 ppm (4 mg/m3)
IDLH (Immediate danger)	1600 ppm
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

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;^[5] 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.^[6] Animal tests have shown that the neurotoxic effect of 2-hexanone may be potentiated by simultaneous administration of 2-butanone (methyl ethyl ketone, MEK).^[7]

References

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

[1] Merck Index, 11th Edition, 5955.

[2] CRC Handbook of Chemistry and Physics, 75th ed. (1995)

[PGCH-3] NIOSH Pocket Guide to Chemical Hazards. "#0325". National Institute for Occupational Safety and Health (NIOSH).

[IDLH-4] "2-Hexanone". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).

[solv-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

[but-7] Wilhelm Neier; Günter Strehlke (2007), "2-Butanone", Ullmann's Encyclopedia of Industrial Chemistry (7th ed.), Wiley, p. 6

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