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393509 Sigma-Aldrich

3-Methyl-2(5H)-furanone

technical grade, 90%

  • CAS Number 22122-36-7

  • Empirical Formula (Hill Notation) C5H6O2

  • Molecular Weight 98.10

  •  Beilstein/REAXYS Number 1642

  •  MDL number MFCD00191545

  •  PubChem Substance ID 24864521

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Properties

Related Categories Building Blocks, C4 to C7, Chemical Synthesis, Furans, Heterocyclic Building Blocks More...
Quality Level   100
grade   technical grade
assay   90%
refractive index   n20/D 1.467 (lit.)
bp   97-99 °C/20 mmHg (lit.)
density   1.13 g/mL at 25 °C (lit.)
SMILES string   CC1=CCOC1=O
InChI   1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3
InChI key   VGHBEMPMIVEGJP-UHFFFAOYSA-N

Description

General description

3-Methyl-2(5H)-furanone (3-Methylfuran-2(5H)-one) has been synthesized in highest yield (77%) by employing α-methyl-γ- butyrolactone as starting reagent.

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.

Application

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.

Packaging

1, 5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
WGK Germany 
WGK 3
Flash Point(F) 
200.1 °F - closed cup
Flash Point(C) 
93.4 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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