ChemicalBook Product Catalog Flavors and fragrances Synthetic fragrances Carboxylic acids and esters Aliphatic dicarboxylic acid esters PENTYL HEXANOATE

PENTYL HEXANOATE

PENTYL HEXANOATE Basic information
Product Name:PENTYL HEXANOATE
Synonyms:Hexanoic Acid Amyl Ester Pentyl Hexanoate Hexanoic Acid Pentyl Ester;NSC 46119;NSC 53794;Amyl capronate;Amyl hexoate;amylcapronate;n-Amyl n-hexanoate;n-Amyln-caproate
CAS:540-07-8
MF:C11H22O2
MW:186.29
EINECS:208-732-4
Product Categories:A-B;Alphabetical Listings;Flavors and Fragrances
Mol File:540-07-8.mol
PENTYL HEXANOATE Structure
PENTYL HEXANOATE Chemical Properties
Melting point -47°C
Boiling point 226 °C(lit.)
density 0.858 g/mL at 25 °C(lit.)
FEMA 2074 | AMYL HEXANOATE
refractive index n20/D 1.42(lit.)
Fp 195 °F
form neat
color Colorless to Almost colorless
Odorat 100.00 %. sweet green fruity estry pineapple apple pear fatty
Odor Typefruity
Merck 14,605
JECFA Number163
LogP4.43
CAS DataBase Reference540-07-8(CAS DataBase Reference)
EPA Substance Registry SystemHexanoic acid, pentyl ester (540-07-8)
Safety Information
Hazard Codes Xi
Risk Statements 36/38-36/37/38
Safety Statements 26-36
RIDADR NA 1993 / PGIII
WGK Germany 2
RTECS MO8421700
HS Code 38220090
ToxicityLD50 orl-rat: >5 g/kg FCTOD7 26,285,88
MSDS Information
ProviderLanguage
SigmaAldrich English
PENTYL HEXANOATE Usage And Synthesis
Chemical PropertiesAmyl hexanoate has a charcteristic fruit-like (banana, pineapple) aroma.
OccurrenceReported in fresh apple, apple juice, apricot (Prunus armeniaca L.), Vitis labrusca L., other Vitis species, strawberry fruit, blue cheese, beer, rum, cider, white wine, soybean, yellow passion fruit juice, fresh plum, other varieties of mushroom, Chinese quince peel and other natural sources.
PreparationBy esterification of hexanoic acid with n-amyl alcohol in benzene solution in the presence of p-toluenesulfonic acid.
DefinitionChEBI: Valeryl hexanoate is a fatty acid ester.
Taste threshold valuesTaste characteristics at 20 ppm: green, waxy, sweet and fruity with cognac-like notes.
Synthesis Reference(s)The Journal of Organic Chemistry, 35, p. 3167, 1970 DOI: 10.1021/jo00834a075
Safety ProfileLow toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PENTYL HEXANOATE Preparation Products And Raw materials
Raw materialsp-Toluenesulfonic acid-->Hexanoic acid-->ISOAMYL ALCOHOL-->HEXANOIC ANHYDRIDE
Preparation ProductsDIHEXYL ETHER-->6-Undecanone-->1-Pentanol
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