Butyl hexanoate

Butyl hexanoate Basic information
Product Name:Butyl hexanoate
Synonyms:Butyl ester of hexanoic acid;Butyl-n-hexanoate;n-Butyl n-hexanoate;N-HEXANOIC ACID N-BUTYL ESTER;N-CAPROIC ACID N-BUTYL ESTER;N-BUTYL HEXANOATE;N-BUTYL CAPROATE;BUTYL HEXANOATE
CAS:626-82-4
MF:C10H20O2
MW:172.26
EINECS:210-964-6
Product Categories:
Mol File:626-82-4.mol
Butyl hexanoate Structure
Butyl hexanoate Chemical Properties
Melting point -64.3°C
Boiling point 61-62 °C/3 mmHg (lit.)
density 0.866 g/mL at 25 °C (lit.)
refractive index 1.416
FEMA 2201 | BUTYL HEXANOATE
Fp 178 ºF
storage temp. Sealed in dry,Room Temperature
form clear liquid
color Colorless
Odorat 100.00 %. fruity pineapple berry apple juicy green winey waxy cognac soapy
Odor Typefruity
JECFA Number162
LogP3.81
CAS DataBase Reference626-82-4(CAS DataBase Reference)
NIST Chemistry ReferenceHexanoic acid, butyl ester(626-82-4)
EPA Substance Registry SystemHexanoic acid, butyl ester (626-82-4)
Safety Information
Safety Statements 24/25
WGK Germany 2
RTECS MO6950000
HS Code 29156000
MSDS Information
ProviderLanguage
Butyl hexanoateEnglish
Butyl hexanoate Usage And Synthesis
Chemical PropertiesButyl hexanoate has a characteristic pineapple-like odor.
OccurrenceReported found in fresh apple, apple juice, apricot, banana and orange juice.
UsesButyl Hexanoate is used in preparation of low viscosity and high flammability ester synthetic oil.
DefinitionChEBI: Butyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with butan-1-ol. It is a volatile compound found in apples and peaches. It has a role as a flavouring agent, a human metabolite, a plant metabolite and an insect attractant. It is a hexanoate ester and a volatile organic compound. It is functionally related to a butan-1-ol.
PreparationBy esterification of hexanoic acid with n-butyl alcohol in benzene solution in the presence of p-toluene sulfonic acid; it is also formed in the fermentation of carbohydrates yielding n-butyl alcohol and acetone.
Aroma threshold valuesDetection: 700 ppb to 10 ppm
Taste threshold valuesTaste characteristics at 10 ppm: fruity, pineapple, green, waxy, tutti-frutti with a slight fermented fruit note.
Synthesis Reference(s)Journal of the American Chemical Society, 79, p. 4759, 1957 DOI: 10.1021/ja01574a045
General DescriptionButyl hexanoate is an aliphatic ester that can be used as a flavoring agent. It is one of the main volatile compounds found in apples. Along with red sticky sphere traps, butyl hexanoate can also act as an odor lure for apple maggot flies.
Safety ProfileLow toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Butyl hexanoate Preparation Products And Raw materials
Raw materialsp-Toluenesulfonic acid–>1-Butanol–>Hexanoic acid

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