105-79-3 Usage
Description
Isobutyl hexanoate is a hexanoate ester resulting from the formal condensation of hexanoic acid (caproic acid) with isobutanol. It is a liquid with a fruity odor and a cocoa-like undertone. It has a flash point of 198°F, is insoluble in water, and less dense than water. Isobutyl hexanoate may cause irritation to the skin, eyes, and mucous membranes, and it may be toxic by ingestion, inhalation, or skin absorption.
Uses
Used in Flavor and Fragrance Industry:
Isobutyl hexanoate is used as a flavoring agent for its fruity, sweet, pineapple, green, tropical, and estry taste characteristics at 10 ppm. It is commonly found in various fruits such as banana, grapes, apple, apricot, and passion fruit, as well as in beverages like beer, rum, cognac, malt whiskey, cider, sherry, and grape wines.
Used in the Chemical Industry:
Isobutyl hexanoate is used as a chemical intermediate for the synthesis of other chemicals. It can be synthesized by direct esterification and is valued for its apple, fruity odor with a cocoa-like undertone.
Used in the Aroma Industry:
Isobutyl hexanoate is used as an aroma compound for its sweet, estry, fruity pineapple, green apple, peach, and tropical aroma characteristics at 2.0%. It is an important ingredient in the creation of various fragrances and perfumes.
Preparation
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.
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.
Biochem/physiol Actions
Taste at 10 ppm
Check Digit Verification of cas no
The CAS Registry Mumber 105-79-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,0 and 5 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 105-79:
(5*1)+(4*0)+(3*5)+(2*7)+(1*9)=43
43 % 10 = 3
So 105-79-3 is a valid CAS Registry Number.
InChI:InChI=1/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
