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Methyl hex-3-enoate

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Methyl hex-3-enoate Basic information

Product Name:
Methyl hex-3-enoate
Synonyms:
  • METHYL TRANS-3-HEXENOATE
  • FEMA 3364
  • 3-Hexenoicacid,methylester
  • Hydrosorbic acid, methyl ester
  • METHYL 3-HEXENOATE, PREDOMINANTLY TRANS, 95+%
  • Methyl 3-hexenoate, predominantly trans
  • Methyl 3-hexenoate,95+%,predominantly trans
  • Einecs 219-256-1
CAS:
2396-78-3
MF:
C7H12O2
MW:
128.17
EINECS:
219-256-1
Product Categories:
  • Alphabetical Listings
  • Flavors and Fragrances
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Mol File:
2396-78-3.mol
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Methyl hex-3-enoate Chemical Properties

Melting point:
-62.68°C (estimate)
Boiling point:
169 °C (lit.)
Density 
0.913 g/mL at 25 °C (lit.)
refractive index 
1.4260
FEMA 
3364 | METHYL 3-HEXENOATE
Flash point:
115 ºF
storage temp. 
Flammables area
form 
Liquid
color 
Clear colorless to faintly yellow
Odor
at 10.00 % in dipropylene glycol. earthy sweet slightly fruity
Odor Type
earthy
JECFA Number
334
LogP
2.38
NIST Chemistry Reference
3-Hexenoic acid, methyl ester(2396-78-3)
EPA Substance Registry System
3-Hexenoic acid, methyl ester (2396-78-3)
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Safety Information

Risk Statements 
10
Safety Statements 
16
RIDADR 
UN 3272
WGK Germany 
3
HS Code 
29161900

MSDS

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Methyl hex-3-enoate Usage And Synthesis

Description

Prepared by selective hydrogenation of methyl sorbate; from 3-hexenoic acid and methanol in the presence of BF3.

Chemical Properties

Clear colorless to faintly yellow liquid

Occurrence

Reported found as a volatile component in cayenne and pineapple. Also reported found in prickly pear, soursop, mountain papaya, guava and Virginia tobacco.

Aroma threshold values

Aroma characteristics at 1.0%: sweet sharp green, juicy fresh fruity with tropical and vegetative nuances.

Taste threshold values

Taste characteristics at 5 ppm: sweet green, banana-like, slightly acidic with fruity nuances of pineapple, pear, apple and passion fruit

Synthesis Reference(s)

Chemistry Letters, 11, p. 715, 1982
The Journal of Organic Chemistry, 51, p. 537, 1986 DOI: 10.1021/jo00354a027

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