2(3H)-Furanone, 5-butyldihydro-4-methyl-

• Formula: C₉H₁₆O₂
• Molecular weight: 156.2221
• IUPAC Standard InChI: InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: WNVCMFHPRIBNCW-UHFFFAOYSA-N Copy
• CAS Registry Number: 39212-23-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • β-Methyl-γ-octalactone
  • (Z)-Whisky lactone
  • Whiskey lactone (5-Butyl-4-methyloxolan-2-one)
  • trans-4-hydroxy-3-methyloctanoic acid lactone
• Stereoisomers:
  • trans-3-Methyl-4-octanolide
  • 2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
  • cis-Wiskey lactone
  • trans-Wiskey lactone
  • cis-Whisky lactone
  • cis-β-Methyl-γ-octalactone
  • trans-β-Methyl-γ-octalactone
• Other names: 5-Butyldihydro-4-methyl-2(3H)-furanone; 5-Butyl-4-methyldihydro-2(3H)-furanone; β-Methyl-γ-octalactone; 2(3H)-Furanone, dihydro, 5-butyl-4-methyl; Oaklactone; 5-Butyl-4-methyldihydrofuran-2(3H)-one; Whiskey lactone; 5-butyl-4-methyldihydrofuran-2( 3H)-one (β-methyl-γ-octalactone); 4-Butyl-3-methyl-γ-butanolide; (E)-Oak lactone; 5-butyldihydro-4-methylfuran-2(3H)-one
• Information on this page:
  • Normal alkane RI, polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
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Normal alkane RI, polar column, custom temperature program

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

References

Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bailly, Jerkovic, et al., 2009
Bailly, S.; Jerkovic, V.; Meuree, A.; Timmermans, A.; Collin, S., Fate of key odorants in Sauternes wines through aging, J. Agric. Food Chem., 2009, 57, 18, 8557-8563, https://doi.org/10.1021/jf901429d . [all data]

Notes

Go To: Top, Normal alkane RI, polar column, custom temperature program, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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