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Isopentyl isobutyrate

Isopentyl isobutyrate Basic information
Product Name:Isopentyl isobutyrate
Synonyms:ISOBUTYRIC ACID ISOAMYL ESTER;ISOPENTYL-2-METHYL PROPANOATE;ISOPENTYL ISOBUTYRATE;FEMA 3507;ISOAMYL ISOBUTYRATE 98+%;ISOAMYL ISOBUTYRATE 98+% NATURAL;3-Methylbutyl 2-methylpropionate;ISOAMYL ISOBUTYRATE, NATURAL
CAS:2050-01-3
MF:C9H18O2
MW:158.24
EINECS:218-078-1
Product Categories:Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;I-L
Mol File:2050-01-3.mol
Isopentyl isobutyrate Structure
Isopentyl isobutyrate Chemical Properties
Melting point -73°C (estimate)
Boiling point 169-171 °C(lit.)
density 0.856 g/mL at 25 °C(lit.)
FEMA 3507 | 3-METHYLBUTYL 2-METHYLPROPANOATE
refractive index n20/D 1.406(lit.)
Fp 129 °F
Water Solubility Insoluble in water
form clear liquid
color Colorless to Almost colorless
Odorat 100.00 %. fruity ethereal tropical green grape cherry unripe banana apple cocoa
Odor Typefruity
JECFA Number49
Stability:Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.
LogP3.17
CAS DataBase Reference2050-01-3(CAS DataBase Reference)
NIST Chemistry ReferenceIso-amyl iso-butyrate(2050-01-3)
EPA Substance Registry SystemIsopentyl isobutyrate (2050-01-3)
Safety Information
Risk Statements 10
Safety Statements 16
RIDADR UN 2620 3/PG 3
WGK Germany 3
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29159000
MSDS Information
ProviderLanguage
3-Methylbutyl 2-methylpropanoate English
SigmaAldrich English
ALFA English
Isopentyl isobutyrate Usage And Synthesis
Chemical Propertiescolourless liquid with a fruity smell
Chemical Properties3-Methylbutyl-2-methylpropionate has a fruity odor with an undertone reminiscent of apricot and pineapple.
OccurrenceReported found in banana, feyoa fruit (Feijoa sellowiana), grapes, melon, papaya, corn oil, beer, hop oil, whiskies, white wine, honey, jackfruit, cherimoya and Roman chamomile oil.
PreparationBy passing vapors of isobutyl alcohol and isoamyl alcohol over an Ag-activated Cu-MnO catalyst.
DefinitionChEBI: A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid.
Aroma threshold valuesDetection: 14 ppb
Taste threshold valuesTaste characteristics at 40 ppm: sweet, fruity, green and fatty with a berry nuance.
Isopentyl isobutyrate Preparation Products And Raw materials
Raw materials2-Methyl-1-propanol-->3-Methyl-1-butanol-->MANGANESE (II) OXIDE
Preparation ProductsIsobutyric acid
22(S),23(S)-HOMOBRASSINOLIDE 4-ANDROSTEN-17-BETA-OL-3-ONE HEXAHYDROBENZOATE Isoamyl nitrite 3,4-EPOXY-6-METHYLCYCLOHEXYLMETHYL-3,4-EPOXY-6-METHYLCYCLOHEXANECARBOXYLATE HARRINGTONINE Butyl methacrylate tert-Butyl methacrylate CITRONELLYL ISOBUTYRATE Isoamyl benzoate Isopentyl isobutyrate POLY(N-BUTYL METHACRYLATE) Isoamyl acetate DL-CAMPHORIC ANHYDRIDE Isoamyl o-hydroxybenzoate Butyl propionate gibberellin A4 methyl ester Simvastatin GIBBERELLIN A9 METHYL ESTER
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