110-12-3
Product Name:
5-Methyl-2-hexanone
Formula:
C7H14O
Synonyms:
5-Methyl-2-hexanone;Isobutylacetone;Isopentyl methyl ketone;Methyl isoamyl ketone, Isoamyl methyl ketone;MIAK
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 5-methylhexan-2-one appears as a colorless liquid with a pleasant fruity odor. Less dense than water. Vapors heavier than air. Used as a solvent and for making other chemicals. |
|---|---|
| Color/Form | Colorless, clear liquid |
| Odor | Pleasant, fruity odor |
| Boiling Point | 291 °F at 760 mmHg (NIOSH, 2023) |
| Melting Point | -101 °F (NIOSH, 2023) |
| Flash Point | 97 °F (NIOSH, 2023) |
| Solubility | 0.5 % (NIOSH, 2023) |
| Density | 0.81 (NIOSH, 2023) - Less dense than water; will float |
| Vapor Density | 3.9 (Air = 1) |
| Vapor Pressure | 5 mmHg (NIOSH, 2023) |
| LogP | log Kow = 1.88 |
| Stability/Shelf Life | STABLE CONTAINERS: DRUMS; TANK CARS |
| Autoignition Temperature | 375 °F (191 °C) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Viscosity | 0.77 cP at 20 °C |
| Heat of Vaporization | 38.43 kJ/mol at 101.3 kPa (to convert kPa to mm Hg, multiply X 7.5) |
| Ionization Potential | 9.284 eV |
| Odor Threshold | Odor Threshold Low: 0.01 [mmHg] Odor Threshold High: 0.04 [mmHg] Detection odor threshold from AIHA (mean = 0.013 ppm) |
| Refractive Index | Index of refraction: 1.4062 at 20 °C/D |
| Relative Evaporation Rate | 0.5 (n-butyl acetate 1) |
| Kovats Retention Index | 825 830.9 836.5 819 835 836 837 838 836 831 832 836 839 835 825 835 839.7 835 836 835.4 828 825 832 832 832 835 865 |
| Other Experimental Properties | Conversion factor: 1 ppm = 4.66 mg/cu m at 25 °C and 760 mm Hg |
| Chemical Classes | Solvents -> Ketones (<C12) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H332:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.19 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 114.104465066 g/mol |
| Monoisotopic Mass | 114.104465066 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 74.5 |
| 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
5-methylhexan-2-one appears as a colorless liquid with a pleasant fruity odor. Less dense than water. Vapors heavier than air. Used as a solvent and for making other chemicals.