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cis-3-Hexenyl hexanoate

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cis-3-Hexenyl hexanoate Basic information

Product Name:
cis-3-Hexenyl hexanoate
Synonyms:
  • CIS-HEX-3-ENYL HEXANOATE
  • CIS-3-HEXENYL HEXANOATE
  • CIS-3-HEXENYL CAPROATE
  • CIS-3-HEXEN-1-YL N-HEXANOATE
  • HEXENYL-CIS-3-CAPROATE
  • HEXENYL-CIS-3-HEXANOATE
  • FEMA 3403
  • C3 HEXENYL CAPROATE
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
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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.)
refractive index 
n20/D 1.473(lit.)
FEMA 
3403 | CIS-3-HEXENYL HEXANOATE
Flash point:
220 °F
storage temp. 
Inert atmosphere,Room Temperature
solubility 
Practically insoluble in water, soluble in alcohol, Propylene glycol -and oils.
form 
clear liquid
color 
Colorless to Almost colorless
Specific Gravity
0.880
Odor
at 100.00 %. fruity green waxy pear winey tropical grassy pineapple
Odor Type
green
JECFA Number
165
LogP
4.54
CAS DataBase Reference
31501-11-8(CAS DataBase Reference)
NIST Chemistry Reference
Hexanoic acid, 3-hexenyl ester, (z)-(31501-11-8)
EPA Substance Registry System
(Z)-3-Hexenyl hexanoate (31501-11-8)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
2
RTECS 
MO8380000
HS Code 
29159000

MSDS

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cis-3-Hexenyl hexanoate Usage And Synthesis

Description

cis-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 Properties

cis-3-Hexenyl hexanoate has a powerful, diffusive fruity-green odor, reminiscent of pear.

Occurrence

Reported 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

Uses

cis-3-Hexenyl hexanoate has been suggested for use in perfumes and flavors. It will primarily find application in flavors, where its Pear-Pineapple character and comparatively powerful Aroma could blend with the conventional materials in such flavor compositions. As a novel note in modem fragrances, it could form part of fruity-green topnote complexes, a type which is rather popular lately.

Preparation

By azeotropic esterification of cis-3-hexanol with n-hexanoic acid

Definition

ChEBI: Cis-3-Hexenyl hexanoate is a fatty acid ester.

Taste threshold values

Taste 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 materials

cis-3-Hexenyl hexanoateSupplier

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