Methyl hex-3-enoate

CAS NO.：2396-78-3
Empirical Formula: C7H12O2
Molecular Weight: 128.17
MDL number: MFCD00672771
EINECS: 219-256-1
SAFETY DATA SHEET (SDS)
Update Date: 2024-07-21 22:12:10

What is Methyl hex-3-enoate?

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

Properties of Methyl hex-3-enoate

Melting point:	-62.68°C (estimate)
Boiling point:	169 °C (lit.)
Density	0.913 g/mL at 25 °C (lit.)
FEMA	3364 \| METHYL 3-HEXENOATE
refractive index	1.4260
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
JECFA Number	334
NIST Chemistry Reference	3-Hexenoic acid, methyl ester(2396-78-3)
EPA Substance Registry System	3-Hexenoic acid, methyl ester (2396-78-3)

Safety information for Methyl hex-3-enoate

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02
GHS Hazard Statements	H225:Flammable liquids
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P403+P235:Store in a well-ventilated place. Keep cool.