105-79-3 Usage
Description
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
Occurrence
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
Definition
ChEBI: A hexanoate ester resulting from the formal condensation of hexanoic acid (caproic acid) with isobutanol.
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.
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.
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
