2-Hexanone (original) (raw)
From Wikipedia, the free encyclopedia
 Skeletal formula of hexan-2-one |
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 Ball-and-stick model of hexan-2-one |
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| Names | |
| Preferred IUPAC name Hexan-2-one | |
| Other namesMethyl 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 YKey: QQZOPKMRPOGIEB-UHFFFAOYSA-N YInChI=1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3Key: QQZOPKMRPOGIEB-UHFFFAOYAQ |
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| 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 (_n_D) | 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 Y N ?) 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;[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]
- ^ 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