ISOAMYL HEXANOATE

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 Structure
ISOAMYL HEXANOATE Chemical Properties
Melting point -47°C (estimate)
Boiling point 222 °C(lit.)
density 0.86 g/mL at 25 °C(lit.)
FEMA 2075 | ISOAMYL HEXANOATE
refractive index n20/D 1.42(lit.)
Fp 185 °F
storage temp. Store below +30°C.
Water Solubility Insoluble in water
form clear liquid
color Colorless to Light yellow
Odorat 100.00 %. fruity banana apple pineapple green
Odor Typefruity
JECFA Number46
LogP4.23
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
PHORBOL 12-MYRISTATE 13-ACETATE 4-O-METHYL ETHER, 4BETA Isobutyl methacrylate PHORBOL-12-MONOMYRISTATE FEMA 2078 QUASSIN PHORBOL 12-MYRISTATE 13-ACETATE Hexanoic acid Butyl methacrylate RUBRATOXIN B 6-Aminocaproic acid Ethyl Hexanoate FEMA 2080 BUTYL OLEATE DIHYDROCYTOCHALASIN B ISOAMYL LAURATE ISOAMYL HEXANOATE 4ALPHA-PHORBOL 12,13-DIDECANOATE DIISOBUTYLCARBINYL PELARGONATE

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