3-METHYL-2(5H)-FURANONE Chemical Properties

Melting point:

72-73 °C(Solv: ethyl ether (60-29-7))

Boiling point:

97-99 °C20 mm Hg(lit.)

Density 

1.13 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.467(lit.)

Flash point:

200 °F

form 

clear liquid

color 

Colorless to Light orange to Yellow

BRN 

1642

InChI

InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3

InChIKey

VGHBEMPMIVEGJP-UHFFFAOYSA-N

SMILES

O1CC=C(C)C1=O

CAS DataBase Reference

22122-36-7

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

HS Code 

2932.20.5050

MSDS

• Language:English Provider:SigmaAldrich

3-METHYL-2(5H)-FURANONE Usage And Synthesis

Uses

3-Methyl-2(5H)-furanone is the suitable model compound used to investigate the fragmentation mechanism of five membered lactones by electrospray ionisation tandem mass spectrometry and also to study the airway irritation of isoprene, isoprene/ozone, and isoprene/ozone/nitrogen dioxide mixture.

Synthesis Reference(s)

Journal of the American Chemical Society, 95, p. 6840, 1973 DOI: 10.1021/ja00801a058
The Journal of Organic Chemistry, 57, p. 6972, 1992 DOI: 10.1021/jo00051a055
Tetrahedron Letters, 20, p. 3731, 1979

General Description

3-Methyl-2(5H)-furanone, a five membered conjugated lactone, is a volatile compound. Its synthesis has been reported. It is reported to be one of the predominant constituent of the flavor of pandan leaves. It is also found in Thai soy sauce, Arabica roasted coffee samples from Brazil, bio-oil from pine wood sawdust.

3-METHYL-2(5H)-FURANONE(22122-36-7)Related Product Information

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• 4-HYDROXY-3-PHENYL-2(5H)-FURANONE
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