2-hexanone

2-Hexanone

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 Y
3D model (Jmol)	Interactive image
ChemSpider	11095 Y
ECHA InfoCard	100.008.848
EC Number	209-731-1
PubChem CID	154889
RTECS number	MP1400000
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	100.16 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
EU classification (DSD)	T
R-phrases	R10, R48, R23, R62, R67
NFPA 704	3 2 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)
US health exposure limits (NIOSH):
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).
Y  (what is YN ?)
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; 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).