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22122-36-7

22122-36-7 Structure

22122-36-7 Structure
IdentificationBack Directory
[Name]

3-METHYL-2(5H)-FURANONE
[CAS]

22122-36-7
[Synonyms]

2-Methyl-2-butenolide
3-Methylbut-2-enolide
3-Methylfuran-2(5H)-one
3-METHYL-2(5H)-FURANONE
2-methyl-2-buten-4-olide
2(5H)-Furanone, 3-methyl-
3-METHYL-2(5H)-FURANONE 97+%
3-Methyl-2(5H)-furanone
3-Methyl-2,5-dihydrofuran-2-one
alpha-Methyl-gamma-crotonolactone
3-METHYL-2(5H)-FURANONE, TECH., 90%
4-Hydroxy-2-methyl-2-butenoic acid γ-lactone
3-Methyl-2(5H)-furanone technical grade, 90%
4-HYDROXY-2-METHYL-2-BUTENOIC ACID GAMMA-LACTONE
[Molecular Formula]

C5H6O2
[MDL Number]

MFCD00191545
[MOL File]

22122-36-7.mol
[Molecular Weight]

98.1
Chemical PropertiesBack Directory
[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.)
[Fp ]

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 DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2932.20.5050
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-2(5H)-FURANONE(22122-36-7)MS
3-METHYL-2(5H)-FURANONE(22122-36-7)1HNMR
3-METHYL-2(5H)-FURANONE(22122-36-7)13CNMR
3-METHYL-2(5H)-FURANONE(22122-36-7)IR1
3-METHYL-2(5H)-FURANONE(22122-36-7)Raman
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