5-Methyl-2-hexanone

5-Methyl-2-hexanone Basic information
Product Name:5-Methyl-2-hexanone
Synonyms:Isobutylaceton;Isopentyl-methylketon;Ketone, methyl isoamyl;ketone,methylisoamyl;Methyl isopentyl ketone;methyl-2-hexanone;methylisopentylketone;MIAK
CAS:110-12-3
MF:C7H14O
MW:114.19
EINECS:203-737-8
Product Categories:ACS and Reagent Grade Solvents;Amber Glass Bottles;Carbon Steel Flex-Spout Cans;ReagentPlus;ReagentPlus Solvent Grade Products;Semi-Bulk Solvents;Solvent Bottles;Solvent by Application;Solvent Packaging Options;Solvents
Mol File:110-12-3.mol
5-Methyl-2-hexanone Structure
5-Methyl-2-hexanone Chemical Properties
Melting point -74 °C
Boiling point 145 °C (lit.)
density 0.814 g/mL at 25 °C (lit.)
vapor density 3.94 (vs air)
vapor pressure 4.5 mm Hg ( 20 °C)
refractive index n20/D 1.406(lit.)
Fp 106 °F
storage temp. Store below +30°C.
solubility water: soluble5.4g/L at 25°C
form Liquid
color Clear colorless
Odorpleasant odor
Odor Threshold0.0021ppm
explosive limit1.35-8.2%, 93°F
Water Solubility 5.4 g/L (20 ºC)
BRN 506163
Exposure limitsTLV-TWA 240 mg/m3 (50 ppm) (ACGIH).
LogP1.88 at 25℃
CAS DataBase Reference110-12-3(CAS DataBase Reference)
NIST Chemistry Reference2-Hexanone, 5-methyl-(110-12-3)
EPA Substance Registry SystemMethyl isoamyl ketone (110-12-3)
Safety Information
Hazard Codes Xn
Risk Statements 10-20
Safety Statements 23-24/25
RIDADR UN 2302 3/PG 3
WGK Germany 1
RTECS MP3850000
Autoignition Temperature797 °F
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29141910
Hazardous Substances Data110-12-3(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 3200 mg/kg LD50 dermal Rabbit 8100 mg/kg
MSDS Information
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5-Methyl-2-hexanone Usage And Synthesis
Chemical PropertiesMIAK is a colorless liquid with a pleasant, fruity odor.
ApplicationMethyl isoamyl ketone (MIAK) is used asa solvent for polymers, cellulose esters, nitrocellulose, cellulose acetatebutyrate, andacrylics, and vinyl copolymers.
Uses5-Methyl-2-hexanone may be used to synthesize N,N′-bis(1,4-dimethylpentyl)-p-phenylenediamine (BMPPD) via reductive alkylation of p-nitroaniline in the presence of copper-based catalysts.
DefinitionChEBI: 5-methyl-2-hexanone is a ketone.
Preparation5-Methyl-2-hexanone is produced by condensation of acetone with isobutyraldehyde. This reaction may be carried out in one or two steps, in the liquid or in the gas phase.
General Description5-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.
Air & Water ReactionsFlammable. Slightly soluble in water.
Reactivity ProfileKetones, such as 5-Methyl-2-hexanone, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
HazardModerate fire risk. Central nervous systemimpairment and upper respiratory tract irritant.
Health HazardInhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.
Health HazardExposure to MIAK can produce a strongnarcotic effect and irritation of the eyes andrespiratory tract. The oral toxicity, however,was found to be low in rats: 1670 mg/kg.
Fire HazardHIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
Safety ProfileModerately toxic by ingestion and intraperitoneal routes. Mildly toxic by inhalation and skin contact. A flammable liquid when exposed to heat, flame, or oxidzers. To fight fire, use dry chemical, CO2, foam, fog. When heated to decomposition it emits acrid smoke and irritating fumes.
Potential ExposureMIAK is used as a solvent for cellulose esters, acrylics, and vinyl copolymers.
ShippingUN23025-Methylhexan-2-one, Hazard Class: 3; Labels: 3-Flammable liquid.
IncompatibilitiesIncompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, nitrated amines, azo, diazo, azido compounds, carbamates, organic cyanates. Attacks some plastics and coatings
Waste DisposalDissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
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