Methyl 3-butenoate
ALDRICH/384267 - 95%
Synonym: Methyl vinylacetate
CAS Number: 3724-55-8
Empirical Formula (Hill Notation): C5H8O2
Molecular Weight: 100.12
EC Number: 223-076-9
MDL Number: MFCD00082587
Linear Formula: CH2=CHCH2COOCH3
Product Type: Chemical
| assay | 95% |
| bp | 112 °C (lit.) |
| density | 0.939 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | allyl |
| ester | |
| InChI | 1S/C5H8O2/c1-3-4-5(6)7-2/ |
| InChI key | GITITJADGZYSRL-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | COC(=O)CC=C |
| Application: | Methyl 3-butenoate may be employed for the synthesis of dipeptide olefin isosteres using intermolecular olefin cross-metathesis. |
| General description: | Methyl 3-butenoate is an olefin ester. It is reported to undergo Iron carbonyl-promoted isomerization to afford α, β-unsaturated esters. It is one of the reaction products formed during flash vacuum thermolysis of (−)-cocaine. The H2 and CH4 chemical ionization mass spectra of methyl 3-butenoate has been reported. |
| Packaging: | 1, 5 g in ampule |
| Symbol |  GHS02 |
| Signal word | Danger |
| Hazard statements | H225 |
| Precautionary statements | P210 |
| Hazard Codes | F |
| Risk Statements | 11 |
| Safety Statements | 16 |
| RIDADR | UN 3272 3 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 68.0 °F - closed cup |
| Flash Point(C) | 20 °C - closed cup |
| Purity | 95% |
| bp | 112 °C (lit.) |
| Density | 0.939 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |