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cis-3-Hexenyl hexanoate

cis-3-Hexenyl hexanoate Basic information
Product Name:cis-3-Hexenyl hexanoate
Synonyms:3-Hexen-1-ol hexanoate, cis;3-Hexenyl hexanoate, (Z)-;3-hexenylester,(z)-hexanoicaci;N-HEXANOIC ACID CIS-3-HEXEN-1-YL ESTER;N-CAPROIC ACID CIS-3-HEXEN-1-YL ESTER;N-CAPROIC ACID CIS-3-HEXNE-1-YL ESTER;(Z)-3-Hexen-1-ol, hexanoate;Hexanoic acid, (3Z)-3-hexenyl ester
CAS:31501-11-8
MF:C12H22O2
MW:198.3
EINECS:250-661-6
Product Categories:Alphabetical Listings;Flavors and Fragrances;G-H
Mol File:31501-11-8.mol
cis-3-Hexenyl hexanoate Structure
cis-3-Hexenyl hexanoate Chemical Properties
Melting point 17.88°C (estimate)
Boiling point 115 °C15 mm Hg(lit.)
density 0.88 g/mL at 25 °C(lit.)
FEMA 3403 | CIS-3-HEXENYL HEXANOATE
refractive index n20/D 1.473(lit.)
Fp 220 °F
storage temp. Inert atmosphere,Room Temperature
form clear liquid
color Colorless to Almost colorless
Specific Gravity0.880
Odorat 100.00 %. fruity green waxy pear winey tropical grassy pineapple
Odor Typegreen
JECFA Number165
LogP4.54
CAS DataBase Reference31501-11-8(CAS DataBase Reference)
NIST Chemistry ReferenceHexanoic acid, 3-hexenyl ester, (z)-(31501-11-8)
EPA Substance Registry System(Z)-3-Hexenyl hexanoate (31501-11-8)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 2
RTECS MO8380000
HS Code 29159000
MSDS Information
ProviderLanguage
SigmaAldrich English
cis-3-Hexenyl hexanoate Usage And Synthesis
Descriptioncis-3-Hexenyl hexanoate has a powerful, diffusive fruity-green odor.1 It is reminiscent of pear. May be synthesized by azeotropic esterification of ds-3-hexanol with n-hexanoic acid.
Chemical Propertiescis-3-Hexenyl hexanoate has a powerful, diffusive fruity-green odor, reminiscent of pear.
OccurrenceReported found among the high-boiling components in green tea; also as a component in the volatile fraction of tabasco pepper (Capsicum frutescens). Also reported found in orange peel oil, guava, corn mint oil, passion fruit and juice, plum, plumcot, starfruit, mango, quince, beli (Aegle marmelos Correa), babaco fruit (Carica pentagona Heilborn), nectarine and black choke berry
PreparationBy azeotropic esterification of cis-3-hexanol with n-hexanoic acid
DefinitionChEBI: Cis-3-Hexenyl hexanoate is a fatty acid ester.
Taste threshold valuesTaste characteristics at 20 ppm: green, fruity, waxy and sweet with a berry and tropical nuance
cis-3-Hexenyl hexanoate Preparation Products And Raw materials
Raw materialsHexanoic acid-->1-Hexanol
CIS-3-HEXENYL BUTYRATE Leucodin hydroxyachillin 7-O-PALMITOYLOKADAIC ACID (3S,3AR,4S,9AS,9BR)-4-HYDROXY-3,6,9-TRIMETHYL-3,3A,4,5,9A,9B-HEXAHYDRO-AZULENO[4,5-B]FURAN-2,7-DIONE cis-3-Hexenyl hexanoate molephantin okilactomycin Thapsigargin AKOS NCG-0033 phantomolin THAPSIGARGICIN pilatin CIS-3-HEXENYL CAPRYLATE Helenien ABSINTHIN Methyl dihydrojasmonate PHYSALIEN
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