2-Hexanone

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]

2-Hexanone^[1][2]

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	591-78-6 Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL195861 Y
ChemSpider	11095 Y
ECHA InfoCard	100.008.848
EC Number	209-731-1
PubChem CID	11583
RTECS number	MP1400000
UNII	6QDY60NH6N Y
CompTox Dashboard (EPA)	DTXSID0022068
InChI InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3 Y Key: QQZOPKMRPOGIEB-UHFFFAOYSA-N Y 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[3]
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%[3]
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)[4]
LDLo (lowest published)	914 mg/kg (rat, oral)[4]
LC50 (median concentration)	8000 ppm (rat, 4 hr)[4]
LCLo (lowest published)	20,000 ppm (guinea pig, 70 min)[4]
NIOSH (US health exposure limits):
PEL (Permissible)	TWA 100 ppm (410 mg/m3)[3]
REL (Recommended)	TWA 1 ppm (4 mg/m3)[3]
IDLH (Immediate danger)	1600 ppm[3]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references

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