ChemicalBook--->CAS DataBase List--->3724-55-8

3724-55-8

3724-55-8 Structure

3724-55-8 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Danger
[Hazard statements ]

H225
[Precautionary statements ]

P210
[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 InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 3-BUTENOATE(3724-55-8)1HNMR
METHYL 3-BUTENOATE(3724-55-8)IR
METHYL 3-BUTENOATE(3724-55-8)FT-IR
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