591-78-6
Product Name:
2-Hexanone
Formula:
C6H12O
Synonyms:
2-Hexanone in dimethyl sulfoxide;2-Hexanone solution;Butyl methyl ketone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Methyl butyl ketone appears as a clear colorless liquid. Flash point 95 °F. Less dense than water. Vapors heavier than air. |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Characteristic acetone like odor, but more pungent |
| Boiling Point | 261 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -71 °F (NTP, 1992) |
| Flash Point | 73 °F (NTP, 1992) |
| Solubility | 10 to 50 mg/mL at 72 °F (NTP, 1992) |
| Density | 0.812 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 3.45 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 2 mmHg at 68 °F ; 3.8 mmHg at 77 °F (NTP, 1992) |
| LogP | log Kow = 1.38 |
| Autoignition Temperature | 795 °F (USCG, 1999) |
| Viscosity | 0.62 cP at 20 °C |
| Heat of Combustion | -16,000 Btu/lb = -8,940 cal/g = -374X10+5 J/kg |
| Heat of Vaporization | 36.05 kJ/mol |
| Surface Tension | 25.4 dyn/cm at 20 °C |
| Ionization Potential | 9.34 eV |
| Odor Threshold | Odor Threshold Low: 0.06 [mmHg] Odor Threshold High: 0.08 [mmHg] Odor threshold from AIHA |
| Refractive Index | Index of refraction: 1.4024 at 20 °C/D |
| Relative Evaporation Rate | 1.0 (n-butyl acetate = 1) |
| Kovats Retention Index | 760.6 771 770 760 763 767.9 765.86 766.66 766.82 767.07 767.68 768.37 768.7 769.32 769.68 771.05 772.24 774.21 772 765.83 767.41 769.69 770.6 770.63 766.8 766.9 766.97 767.1 767.3 768.04 769 767.7 767 767 768 769 774 774 775 777 761 770 766.6 772 770 771 768 775 773 778 768 768 769 769 747 768 768 769 771 771 769 756 767 772 767 769.7 768 767 761 768 764.3 769.5 771 770 768 761 768 765 768 759 761 761 761 771 787 747 772 769 769 775 766.9 767 760 787 779 751 |
| Other Experimental Properties | 1 ppm is equivalent to 4.10 mg/cu m; 1 mg/L is equivalent to 244 ppm at 25 °C, 760 mm Hg /vapor/ |
| Chemical Classes | Solvents -> Ketones (<C12) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H336:Specific target organ toxicity,single exposure; Narcotic effects H372:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 100.16 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 100.088815002 g/mol |
| Monoisotopic Mass | 100.088815002 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 57.2 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Hexanone is also known as methyl n-butyl ketone, MBK, or propyl acetone. It is a clear, colorless liquid with a sharp odor. It dissolves very easily in water, and can evaporate easily into the air as a vapor. It was used in the past in paint and paint thinner, to make other chemical substances, and to dissolve oils and waxes. It is no longer made or used in the United States because it has harmful health effects. It is formed as a waste product resulting from industrial activities such as making wood pulp and producing gas from coal, and in oil shale operations.