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Isobutyl hexanoate

Isobutyl hexanoate
Isobutyl hexanoate structure
Chemical Name:
Isobutyl hexanoate
FEMA 2202;Isobutylhexanoat;ISOBUTYL CAPROATE;sobutyl hexanoate;ISOBUTYL HEXANOATE;BUTYL ISO, CAPROATE;ISOBUTYL N-HEXANOATE;BUTYL ISO, HEXANOATE;Isobutyl n-Caproate;Caproic acid isobutyl
Molecular Formula:
Formula Weight:
MOL File:

Isobutyl hexanoate Properties

Melting point:
-64.3°C (estimate)
Boiling point:
348-350 °C(lit.)
0.856 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.414(lit.)
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)
  • Risk and Safety Statements
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37
Safety Statements  26
WGK Germany  2
RTECS  MO8389000
HS Code  29156000

Isobutyl hexanoate price More Price(6)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich W220205 Isobutyl hexanoate ≥98%, FG 105-79-3 sample $40 2018-11-13 Buy
Sigma-Aldrich W220205 Isobutyl hexanoate ≥98%, FG 105-79-3 1kg $95 2018-11-13 Buy
TCI Chemical H0110 Isobutyl Hexanoate >98.0%(GC) 105-79-3 25mL $9 2018-11-22 Buy
TCI Chemical H0110 Isobutyl Hexanoate >98.0%(GC) 105-79-3 500mL $85 2018-11-22 Buy
Sigma-Aldrich W220205 Isobutyl hexanoate ≥98%, FG 105-79-3 9kg $480 2018-11-13 Buy

Isobutyl hexanoate Chemical Properties,Uses,Production


Isobutyl hexanoate has a fruity odor with a cocoa-like undertone. May be synthesized by direct esterifiication.

Chemical Properties

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.

General Description

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.

Reactivity Profile

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.

Health Hazard

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.

Isobutyl hexanoate Preparation Products And Raw materials

Raw materials

Preparation Products

Isobutyl hexanoate Suppliers

Global( 88)Suppliers
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Isobutyl hexanoate Spectrum

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