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. |
Computed Descriptors for Methyl hex-3-enoate
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