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Isobutyl hexanoate

Product Name
Isobutyl hexanoate
CAS No.
105-79-3
Chemical Name
Isobutyl hexanoate
Synonyms
FEMA 2202;Isobutylhexanoat;ISOBUTYL CAPROATE;sobutyl hexanoate;ISOBUTYL HEXANOATE;BUTYL ISO, CAPROATE;BUTYL ISO, HEXANOATE;ISOBUTYL N-HEXANOATE;Isobutyl n-Caproate;IsobutylHexanoate>
CBNumber
CB9746318
Molecular Formula
C10H20O2
Formula Weight
172.26
MOL File
105-79-3.mol
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Isobutyl hexanoate Property

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
Flash point:
169 °F
storage temp. 
2-8°C
form 
clear liquid
color 
Colorless to Almost colorless
Odor
at 100.00 %. fruity pineapple green apple skin green apple sour tropical peach earthy
Odor Type
fruity
JECFA Number
166
LogP
3.71
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

Hazard Codes 
Xi
Risk Statements 
36/37
Safety Statements 
26
WGK Germany 
2
RTECS 
MO8389000
HS Code 
29156000
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W220205
Product name
Isobutyl hexanoate
Purity
≥98%, FG
Packaging
sample
Price
$59.8
Updated
2023/06/20
Sigma-Aldrich
Product number
W220205
Product name
Isobutyl hexanoate
Purity
≥98%, FG
Packaging
1kg
Price
$114
Updated
2023/06/20
TCI Chemical
Product number
H0110
Product name
Isobutyl Hexanoate
Purity
>98.0%(GC)
Packaging
25mL
Price
$19
Updated
2024/03/01
TCI Chemical
Product number
H0110
Product name
Isobutyl Hexanoate
Purity
>98.0%(GC)
Packaging
500mL
Price
$110
Updated
2023/01/07
Sigma-Aldrich
Product number
W220205
Product name
Isobutyl hexanoate
Purity
≥98%, FG
Packaging
9kg
Price
$592
Updated
2023/01/07
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Isobutyl hexanoate Chemical Properties,Usage,Production

Description

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

Chemical Properties

Isobutyl hexanoate is a colorless liquid. Almost insoluble in water, soluble in alcohol and oils. Sp.Gr. 0.86. 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

Uses

Isobutyl hexanoate is used extensively in flavor compositions, primarily in imitation Pineapple, but also in Apple, Grape and other fruity types. It is occasionally used for special effects in Oriental fragrances, mainly as a modifier in the fruity complex and topnote. The concentration of this ester in the finished consumer product will normally be about 8 ppm.

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.

Definition

ChEBI: A hexanoate ester resulting from the formal condensation of hexanoic acid (caproic acid) with isobutanol.

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

Isobutyl hexanoate Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from Isobutyl hexanoate manufacturers

Hebei Zhuanglai Chemical Trading Co Ltd
Product
Isobutyl hexanoate 105-79-3
Price
US $45.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 tons
Release date
2024-12-18
Shaanxi Dideu Medichem Co. Ltd
Product
Isobutyl hexanoate 105-79-3
Price
US $0.10/KG
Min. Order
1KG
Purity
99.0%
Supply Ability
1000 tons
Release date
2024-08-05
Career Henan Chemical Co
Product
Isobutyl hexanoate 105-79-3
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
200kg
Release date
2020-03-05

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