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Isobutyl hexanoate

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Isobutyl hexanoate Basic information

Product Name:
Isobutyl hexanoate
CAS:
105-79-3
MF:
C10H20O2
MW:
172.26
EINECS:
203-332-6
Mol File:
105-79-3.mol
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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.)
FEMA 
2202 | ISOBUTYL HEXANOATE
refractive index 
n20/D 1.414(lit.)
Flash point:
169 °F
JECFA Number
166
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)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37
Safety Statements 
26
WGK Germany 
2
RTECS 
MO8389000
HS Code 
29156000

MSDS

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Isobutyl hexanoate Usage And Synthesis

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.

Isobutyl hexanoate Preparation Products And Raw materials

Raw materials

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Isobutyl hexanoateSupplierMore

J & K SCIENTIFIC LTD.
Tel:
400-666-7788 010-82848833-
Email:
jkinfo@jkchemical.com;market6@jkchemical.com
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel:
400-660-8290 21-61259100-
Email:
sh@meryer.com
TCI (Shanghai) Development Co., Ltd.
Tel:
021-67121386 / 800-988-0390
Email:
Sales-CN@TCIchemicals.com
Energy Chemical
Tel:
400-005-6266 021-58432009
Email:
sales8178@energy-chemical.com
Adamas Reagent, Ltd.
Tel:
400-600-9262
Email:
bxy@titansci.com
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