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Isobutyl hexanoate

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Products Intro: Product Name:Isobutyl hexanoate
CAS:105-79-3
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CAS:105-79-3
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Products Intro: Product Name:Isobutyl Hexanoate
CAS:105-79-3
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CAS:105-79-3
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Products Intro: Product Name:Isobutyl hexanoate, 98%
CAS:105-79-3
Purity:98% Package:100ML;500ML
Isobutyl hexanoate Basic information
Product Name:Isobutyl hexanoate
Synonyms:HEXANOIC ACID ISOBUTYL ESTER;ISOBUTYL CAPROATE;ISOBUTYL HEXANOATE;ISOBUTYL N-HEXANOATE;FEMA 2202;BUTYL ISO, CAPROATE;BUTYL ISO, HEXANOATE;LABOTEST-BB LT00053713
CAS:105-79-3
MF:C10H20O2
MW:172.26
EINECS:203-332-6
Product Categories:
Mol File:105-79-3.mol
Isobutyl hexanoate Structure
Isobutyl hexanoate Chemical Properties
Melting point -64.3°C (estimate)
Boiling point 348-350 °C(lit.)
density 0.856 g/mL at 25 °C(lit.)
refractive index n20/D 1.414(lit.)
FEMA 2202 | ISOBUTYL HEXANOATE
Fp 169 °F
JECFA Number166
CAS DataBase Reference105-79-3(CAS DataBase Reference)
NIST Chemistry ReferenceHexanoic acid, 2-methylpropyl ester(105-79-3)
EPA Substance Registry SystemHexanoic acid, 2-methylpropyl ester(105-79-3)
Safety Information
Hazard Codes Xi
Risk Statements 36/37
Safety Statements 26
WGK Germany 2
RTECS MO8389000
HS Code 29156000
MSDS Information
ProviderLanguage
Isobutyl caproate English
SigmaAldrich English
Isobutyl hexanoate Usage And Synthesis
DescriptionIsobutyl hexanoate has a fruity odor with a cocoa-like undertone. May be synthesized by direct esterifiication.
Chemical PropertiesApple, fruity odor with cocoa-like underto
OccurrenceReported 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
DefinitionChEBI: A hexanoate ester resulting from the formal condensation of hexanoic acid (caproic acid) with isobutanol.
PreparationBy 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 valuesAroma characteristics at 2.0%: sweet, estry, fruity pineapple, green apple, peach and tropica
Taste threshold valuesTaste characteristics at 10 ppm: fruity, sweet, pineapple, green, tropical and estry.
General DescriptionA 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 ReactionsInsoluble in water.
Reactivity ProfileISOBUTYL 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.
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 or dilution water may cause pollution.
Isobutyl hexanoate Preparation Products And Raw materials
Raw materials2-Methyl-1-propanol-->Hexanoic acid
Tag:Isobutyl hexanoate(105-79-3) Related Product Information
AZELAIC ACID DI(2-ETHYLHEXYL) ESTER 2-ETHYLHEXANOIC ANHYDRIDE PHORBOL-12-MONOMYRISTATE 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