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]

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	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