trans-Methyl crotonate
- CAS NO.：623-43-8
- Empirical Formula: C5H8O2
- Molecular Weight: 100.12
- MDL number: MFCD00009287
- EINECS: 210-793-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-09-25 09:23:02
What is trans-Methyl crotonate ?
Chemical properties
CLEAR COLOURLESS LIQUID
The Uses of trans-Methyl crotonate
Methyl crotonate was used to investigate chemo selectivity in the reaction between methyl crotonate and benzyl amine catalyzed by lipase B from Candida Antarctica using solvent engineering. It was used as starting reagent during the total synthesis of phytotoxins solanapyrones D(1) and E(2).
Synthesis Reference(s)
Tetrahedron Letters, 14, p. 2967, 1973 DOI: 10.1016/S0040-4039(01)96294-X
General Description
Methyl crotonate undergoes vinylogous aldol reaction with enolizable aldehydes in the presence of aluminum tris(2,6-di-2-naphthylphenoxide).
Properties of trans-Methyl crotonate
| Melting point: | -42°C |
| Boiling point: | 118-120 °C (lit.) |
| Density | 0.944 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 40 °F |
| storage temp. | Flammables area |
| form | Liquid |
| color | Clear colorless |
| Odor | at 1.00 % in dipropylene glycol. sharp green fruity |
| Water Solubility | IMMISCIBLE |
| Merck | 14,2597 |
| BRN | 1720292 |
| InChI | InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+ |
| CAS DataBase Reference | 623-43-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butenoic acid, methyl ester, (E)-(623-43-8) |
| EPA Substance Registry System | Methyl trans-crotonate (623-43-8) |
Safety information for trans-Methyl crotonate
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for trans-Methyl crotonate
| InChIKey | MCVVUJPXSBQTRZ-ONEGZZNKSA-N |
| SMILES | C(OC)(=O)/C=C/C |
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