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Hexyl hexanoate

Hexyl hexanoate Basic information
Product Name:Hexyl hexanoate
Synonyms:HEXYL HEXANOATE;FEMA 2572;N-HEXANOIC ACID N-HEXYL ESTER;N-HEXYL CAPROATE;N-HEXYL HEXANOATE;N-HEXYL N-CAPROATE;N-HEXYL N-HEXANOATE;N-CAPROIC ACID N-HEXYL ESTER
CAS:6378-65-0
MF:C12H24O2
MW:200.32
EINECS:228-952-4
Product Categories:G-HFlavors and Fragrances;Prepackaged Samples;Alphabetical Listings;Flavors and Fragrances
Mol File:6378-65-0.mol
Hexyl hexanoate Structure
Hexyl hexanoate Chemical Properties
Melting point −55 °C(lit.)
Boiling point 245-246 °C(lit.)
density 0.863 g/mL at 25 °C(lit.)
vapor pressure 2.4Pa at 20℃
refractive index n20/D 1.424(lit.)
FEMA 2572 | HEXYL HEXANOATE
Fp 211 °F
form neat
color Colorless to Almost colorless
Odorat 10.00 % in dipropylene glycol. herbal fresh cut grass vegetable fruity
Odor Typegreen
Water Solubility 951μg/L at 20℃
JECFA Number164
LogP5.7 at 20℃
CAS DataBase Reference6378-65-0(CAS DataBase Reference)
NIST Chemistry ReferenceHexanoic acid, hexyl ester(6378-65-0)
EPA Substance Registry SystemHexanoic acid, hexyl ester (6378-65-0)
Safety Information
Risk Statements 36/37/38
Safety Statements 26-36/37/39-24/25
WGK Germany 2
RTECS MO8385000
HS Code 29159000
MSDS Information
ProviderLanguage
Hexyl hexanoate English
SigmaAldrich English
Hexyl hexanoate Usage And Synthesis
DescriptionHexyl hexanoate has a herbaceous odor. May be synthesized by passing n-hexyl alcohol over CuO + UO3 catalyst at 220 - 310°C, or by treating n-hexyl alcohol with Ca(Br03)2 and diluted aqueous HBr at 30°C.
Chemical PropertiesHexyl hexanoate has an herbaceous odor
Chemical PropertiesOily liquid
OccurrenceReported found in apple, apricot, banana, sweet cherry, orange peel oil, guava, grapes, melon, papaya, strawberry fruit and jam, tomato, Parmesan cheese, rum, cider, sherry, grape wine, black tea, passion fruit, plum, mushroom, starfruit, quince, cherimoya, mountain papaya, black choke cherry, spineless monkey orange, Chinese quince peel and hog plum (Spondias mombins L.)
DefinitionChEBI: Hexyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with hexan-1-ol. It is a constituent found in passion fruit, apples, strawberries and wine. It has a role as a plant metabolite, a volatile oil component, a flavouring agent and a fragrance. It is functionally related to a hexan-1-ol.
PreparationBy passing n-hexyl alcohol over CuO + UO3 catalyst at 220 to 310°C, or by treating n-hexyl alcohol with Ca(BrO3)2 and diluted aqueous HBr at 30°C
Aroma threshold valuesDetection: 6.4 ppm
Taste threshold valuesTaste characteristics at 40 ppm: sweet, fruity and green with tropical notes.
Synthesis Reference(s)The Journal of Organic Chemistry, 43, p. 371, 1978 DOI: 10.1021/jo00396a054
Flammability and ExplosibilityNotclassified
Hexyl hexanoate Preparation Products And Raw materials
Raw materialsCupric oxide-->1-Hexanol-->URANIUM(VI) OXIDE-->FEMA 2811-->N-OCTYL CAPROATE-->1-Octanol
Preparation ProductsDIHEXYL ETHER-->N-CAPROIC ACID ISOPROPYL ESTER
LAURIC ANHYDRIDE OLEIC ANHYDRIDE Span 60 BEHENIC ANHYDRIDE Span 20 Cholesteryl caprylate HEXANOIC ANHYDRIDE RUBRATOXIN B Cholesteryl linoleate Palmitic anhydride Cholesteryl hexanoate Hexyl hexanoate CHOLESTERYL HEPTANOATE Dihexyl adipate LINOLEIC ANHYDRIDE Allyl hexanoate Cholesteryl pelargonate CHOLESTERYL STEARATE
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