| Identification | Back Directory | [Name]
METHYL 3-BUTENOATE | [CAS]
3724-55-8 | [Synonyms]
CH2=CHCH2C(O)OCH3
METHYL 3-BUTENOATE
METHYL VINYLACETATE
methyl but-3-enoate
Methyl 3-butenoate 95%
3-butenoicacid,methylester
but-3-enoic acid methyl ester | [EINECS(EC#)]
223-076-9 | [Molecular Formula]
C5H8O2 | [MDL Number]
MFCD00082587 | [MOL File]
3724-55-8.mol | [Molecular Weight]
100.12 |
| Chemical Properties | Back Directory | [Melting point ]
-78.42°C (estimate) | [Boiling point ]
112 °C (lit.) | [density ]
0.939 g/mL at 25 °C (lit.) | [refractive index ]
n20/D 1.409(lit.)
| [Fp ]
60 °F
| [storage temp. ]
Storage temp. 2-8°C | [form ]
liquid | [Appearance]
Colorless to light yellow Liquid | [BRN ]
1741732 | [InChI]
InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3 | [InChIKey]
GITITJADGZYSRL-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)CC=C | [LogP]
0.839 (est) | [NIST Chemistry Reference]
Methyl 3-butenoate(3724-55-8) | [EPA Substance Registry System]
3-Butenoic acid, methyl ester (3724-55-8) |
| Safety Data | Back Directory | [Hazard Codes ]
F | [Risk Statements ]
11 | [Safety Statements ]
16 | [RIDADR ]
UN 3272 3/PG 2
| [WGK Germany ]
3
| [TSCA ]
TSCA listed | [HazardClass ]
3.1 | [PackingGroup ]
II | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 2 |
| Hazard Information | Back Directory | [Uses]
Methyl 3-butenoate may be employed for the synthesis of dipeptide olefin isosteres using intermolecular olefin cross-metathesis. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 99, p. 5184, 1977 DOI: 10.1021/ja00457a052
Tetrahedron Letters, 14, p. 2433, 1973 DOI: 10.1016/S0040-4039(01)96239-2 | [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. |
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