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HomeProduct name listISOAMYL HEXANOATE

ISOAMYL HEXANOATE

Synonym(s):3-Methylbutyl hexanoate;Methylbutyl caproate, Caproic acid methylbutyl ester, Hexanoic acid methylbutyl ester

  • CAS NO.:2198-61-0
  • Empirical Formula: C11H22O2
  • Molecular Weight: 186.29
  • MDL number: MFCD00027280
  • EINECS: 218-600-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-06-05 14:10:51
ISOAMYL HEXANOATE Structural

What is ISOAMYL HEXANOATE?

Description

Isoamyl hexanoate has a fruity odor. May be prepared by esterification of caproic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.

Chemical properties

Colorless liquid

Chemical properties

Isoamyl hexanoate has an apple, pineapple, fruity, green, sweet odor.

Occurrence

Reported found in rind of California orange, apple, apricot, banana, grapefruit peel, grapes, pineapple, strawberry, cheeses, beer, cognac, rum, whiskies, sherry, grape wines, passion fruit, plum, brandy (plum, pear and apple), strawberry and bilberry wine, cherimoya, and mastic gum leaf and fruit oil.

The Uses of ISOAMYL HEXANOATE

Isoamyl Hexanoate is a synthetic flavoring agent that is a stable, colorless liquid of fruity odor. It is soluble in alcohol, fixed oils, and mineral oil. Storage should be in glass, tin, or resin-lined containers. It is used in fruit flavors such as banana and pineapple for applications in desserts, candy, and ice cream at 4–22 ppm.

Definition

ChEBI: A fatty acid ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with the alcoholic hydroxy group of 3-methylbutan-1-ol (isoamylol).

Preparation

By esterification of caproic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.

Production Methods

Isoamyl hexanoate is prepared by direct esterification of the iso-Amyl alcohol with Caproic ( = Hexanoic) acid under azeotropic conditions.

Taste threshold values

Taste characteristics at 25 ppm: fruity, green, pineapple with a waxy nuance

Solubility in organics

Soluble in alcohol, essential oils, perfume and flavor materials.

Properties of ISOAMYL HEXANOATE

Melting point: -47°C (estimate)
Boiling point: 222 °C(lit.)
Density  0.86 g/mL at 25 °C(lit.)
refractive index  n20/D 1.42(lit.)
FEMA  2075 | ISOAMYL HEXANOATE
Flash point: 185 °F
storage temp.  Store below +30°C.
Water Solubility  Insoluble in water
form  clear liquid
color  Colorless to Light yellow
Odor at 100.00 %. fruity banana apple pineapple green
JECFA Number 46
CAS DataBase Reference 2198-61-0(CAS DataBase Reference)
NIST Chemistry Reference Isopentyl hexanoate(2198-61-0)
EPA Substance Registry System Hexanoic acid, 3-methylbutyl ester (2198-61-0)

Safety information for ISOAMYL HEXANOATE

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

Computed Descriptors for ISOAMYL HEXANOATE

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