Ethyl 3-hexenoate
- CAS NO.：2396-83-0
- Empirical Formula: C8H14O2
- Molecular Weight: 142.2
- MDL number: MFCD00036524
- EINECS: 219-257-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-19 18:29:52
What is Ethyl 3-hexenoate?
Chemical properties
Ethyl 3-hexenoate has a green, fruity aroma.
Occurrence
Reported found in pineapple, melon, beer, passion fruit juice, quince, plumcot, prickly pear and kiwifruit.
Definition
ChEBI: A fatty acid ethyl ester of 3-hexenoic acid.
Preparation
From3-hexenoic acid and dicyclohexylcarbodimide; by fungalfermentation (20°C) of 3-hexenoic acid using Saccharomyces cerevisiae; from trialkylboranes and ethyl-4-bromocrotonate in the presence of 2,6-di-tert-butyl-phenoxide; by pyrolysis of acetates.
Taste threshold values
Taste characteristics at 10 ppm: fruity, green, sweet and pineapple-like.
General Description
Ethyl trans-3-hexenoate is an ester. It was evaluated as aroma volatile in the GC effluents of cashew apple water phase phase.
Properties of Ethyl 3-hexenoate
| Melting point: | -65.52°C (estimate) |
| Boiling point: | 63-64 °C12 mm Hg(lit.) |
| Density | 0.896 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 3342 | ETHYL 3-HEXENOATE |
| Flash point: | 139 °F |
| storage temp. | Sealed in dry,Room Temperature |
| Odor | at 100.00 %. fruity pineapple green tart candy metallic tropical rhubarb weedy cheesy |
| JECFA Number | 335 |
| CAS DataBase Reference | 2396-83-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Hexenoic acid, ethyl ester(2396-83-0) |
| EPA Substance Registry System | 3-Hexenoic acid, ethyl ester (2396-83-0) |
Safety information for Ethyl 3-hexenoate
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for Ethyl 3-hexenoate
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