Isobutyl hexanoate Chemical Properties
- Melting point:
- -64.3°C (estimate)
- Boiling point:
- 348-350 °C(lit.)
- 0.856 g/mL at 25 °C(lit.)
- 2202 | ISOBUTYL HEXANOATE
- refractive index
- Flash point:
- 169 °F
- JECFA Number
- CAS DataBase Reference
- 105-79-3(CAS DataBase Reference)
- NIST Chemistry Reference
- Hexanoic acid, 2-methylpropyl ester(105-79-3)
- EPA Substance Registry System
- Hexanoic acid, 2-methylpropyl ester (105-79-3)
Isobutyl hexanoate Usage And Synthesis
Isobutyl hexanoate has a fruity odor with a cocoa-like undertone. May be synthesized by direct esterifiication.
Apple, fruity odor with cocoa-like underto
Reported found in banana, grapes, apple, apricot, beer, rum, cognac, malt whiskey, cider, sherry, grape wines, passion fruit, apple brandy, plum wine, quince, sea buckthorn (Hippophae rhamnoides L.), spineless monkey orange and Chinese quince peel
ChEBI: A hexanoate ester resulting from the formal condensation of hexanoic acid (caproic acid) with isobutanol.
By direct esterification of heptanoic acid with isobutyl alcohol or by treating heptanoic acid and isobutyl alcohol in the presence of defatted Chelidonium majus seeds at 20°C for 3 days.
Aroma threshold values
Aroma characteristics at 2.0%: sweet, estry, fruity pineapple, green apple, peach and tropica
Taste threshold values
Taste characteristics at 10 ppm: fruity, sweet, pineapple, green, tropical and estry.
A liquid. Flash point 198°F. Insoluble in water and less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
Air & Water Reactions
Insoluble in water.
ISOBUTYL CAPROATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Inhalation 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 or dilution water may cause pollution.
- AZELAIC ACID DI(2-ETHYLHEXYL) ESTER
- 2-ETHYLHEXANOIC ANHYDRIDE
- NEOPENTYL GLYCOL DIRICINOLEATE
- Isobutyl hexanoate
- Isobutyl stearate
- Cholesteryl hexanoate
- Butyl hexanoate
- Isobutyl acetate
- Isobutyl cinnamate
- Phenylacetic acid isobutyl ester
- Isobutyl acrylate
- TITANIUM ISOBUTOXIDE
- Methyl hexanoate
- isobutyl oleate
- Hexanoic acid
- Ethyl Hexanoate
- Allyl hexanoate
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