ISOAMYL HEXANOATE

ISOAMYL HEXANOATE
  • CAS No.:2198-61-0
Other grades of this product :
ISOAMYL HEXANOATE Basic information
Product Name:ISOAMYL HEXANOATE
Synonyms:Hexanoic acid, 3-methylbutyl ester;Hexanoic acid, isopentyl ester;Hexanoicacid,3-methylbutylester;hexanoicacid,isopentylester;isopentyl caproate;3-METHYLBUTYL HEXANOATE;AMYL (ISO) CAPROATE;METHYLBUTYL CAPROATE
CAS:2198-61-0
MF:C11H22O2
MW:186.29
EINECS:218-600-8
Product Categories:Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;I-L
Mol File:2198-61-0.mol
ISOAMYL HEXANOATE Chemical Properties
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
Fp 185 °F
storage temp. Store below +30°C.
Water Solubility Insoluble in water
form clear liquid
color Colorless to Light yellow
JECFA Number46
CAS DataBase Reference2198-61-0(CAS DataBase Reference)
NIST Chemistry ReferenceIsopentyl hexanoate(2198-61-0)
EPA Substance Registry SystemHexanoic acid, 3-methylbutyl ester (2198-61-0)
Safety Information
Safety Statements 24/25
WGK Germany 2
RTECS MO8389300
HS Code 29159080
HS Code 29349990
ToxicityLD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
MSDS Information
ProviderLanguage
Hexanoic acid 3-methylbutyl ester English
SigmaAldrich English
ISOAMYL HEXANOATE Usage And Synthesis
DescriptionIsoamyl 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 PropertiesIsoamyl hexanoate has an apple, pineapple, fruity, green, sweet odor.
Chemical PropertiesColorless liquid
OccurrenceReported 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.
UsesIsoamyl 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.
PreparationBy esterification of caproic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
DefinitionChEBI: 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).
Taste threshold valuesTaste characteristics at 25 ppm: fruity, green, pineapple with a waxy nuance
ISOAMYL HEXANOATE Preparation Products And Raw materials
Raw materialsHexanoic acid

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