A5415012
Methyl crotonate , 98% , 623-43-8
CAS NO.：623-43-8
Empirical Formula: C5H8O2
Molecular Weight: 100.12
MDL number: MFCD00009287
EINECS: 210-793-7
Update time: 2022-07-08
PRODUCT Properties
| 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 |
| Odor Type | green |
| 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+ |
| InChIKey | MCVVUJPXSBQTRZ-ONEGZZNKSA-N |
| SMILES | C(OC)(=O)/C=C/C |
| LogP | 1.316 (est) |
| 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) |
Description and Uses
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).
Safety
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225-H319 |
| Precautionary statements | P210-P305+P351+P338 |
| Hazard Codes | F,Xi |
| Risk Statements | 11-36/37/38 |
| Safety Statements | 16-26-36-9-33 |
| RIDADR | UN 3272 3/PG 2 |
| WGK Germany | 2 |
| RTECS | GQ5710000 |
| TSCA | Yes |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29161980 |
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
