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Hexyl isobutyrate

Hexyl isobutyrate Basic information
Product Name:Hexyl isobutyrate
Synonyms:HEXYL ISOBUTYRATE;HEXYL 2-METHYLPROPANOATE;FEMA 3172;n-hexylisobutanoate;Propanoicacid,2-methyl-,hexylester;HEXYL ISOBUTYRATE 98+%;Hexylisobutyrat;exyl isobutyrate
CAS:2349-07-7
MF:C10H20O2
MW:172.26
EINECS:219-075-8
Product Categories:Alphabetical Listings;Flavors and Fragrances;G-H
Mol File:2349-07-7.mol
Hexyl isobutyrate Structure
Hexyl isobutyrate Chemical Properties
Melting point -78°C (estimate)
Boiling point 202.6°C (estimate)
density 0.86 g/mL at 25 °C(lit.)
vapor pressure 4.39hPa at 20℃
refractive index n20/D 1.413(lit.)
FEMA 3172 | HEXYL ISOBUTYRATE
Fp 164 °F
storage temp. Sealed in dry,Room Temperature
Odorat 100.00 %. green fruity apple pear tart grape ripe berry winey peach
Odor Typegreen
Water Solubility 58.21mg/L at 20℃
JECFA Number189
LogP4.668 at 25℃
CAS DataBase Reference2349-07-7(CAS DataBase Reference)
NIST Chemistry ReferencePropanoic acid, 2-methyl-, hexyl ester(2349-07-7)
EPA Substance Registry SystemHexyl isobutyrate (2349-07-7)
Safety Information
WGK Germany 2
RTECS NQ4695000
MSDS Information
ProviderLanguage
SigmaAldrich English
Hexyl isobutyrate Usage And Synthesis
DescriptionHexyl isobutyrate has a powerful, somewhat harsh fruity aroma. May be synthesized by direct esterification of n-hexanol with isobutyric acid.
Chemical PropertiesHexyl isobutyrate has a powerful, somewhat harsh, fruity aroma.
OccurrenceReported found in lavender oil, hop oil, sherry, apple, apricot, grapes, beer, white and sparkling wine, sherry, yellow passion fruit, plum, starfruit, quince, cherimoya, spineless monkey orange and Chinese quince peel.
PreparationBy direct esterification of n-hexanol with isobutyric in sherry
DefinitionChEBI: Hexyl 2-methylpropanoate is a carboxylic ester.
Aroma threshold valuesDetection: 6 to 26 ppb
Taste threshold valuesTaste characteristics at 10 ppm: green, sweet, fruity, apple- and pear-like with banana and melon nuances
Flammability and ExplosibilityNotclassified
Hexyl isobutyrate Preparation Products And Raw materials
Raw materialsIsobutyric acid-->Hexyl methacrylate-->1-Hexanol
OCTYL ISOBUTYRATE Phenoxyethyl isobutyrate Ethylhexyl Palmitate 2-ethylhexyl 2-ethylhexanoate RETRORSINE Hexyl isobutyrate BIS(1H,1H,7H-PERFLUOROHEPTYL)DICAMPHORATE NONACTIN Isobutyric acid CITRONELLYL ISOBUTYRATE Dicyclohexyl phthalate Madecassoside Hexyl butyrate POLY(1 6-HEXAMETHYLENE ADIPATE) AVERAG& Hexyl hexanoate DI-N-HEXYL PHTHALATE HexanitrodiphenylaMine Scopolamine hydrobromide
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