Wine lactone

• Formula: C₁₀H₁₄O₂
• Molecular weight: 166.2170
• IUPAC Standard InChI: InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3/t7-,8-,9-/m1/s1 Copy

  
• IUPAC Standard InChIKey: NQWBFQXRASPNLB-IWSPIJDZSA-N Copy
• CAS Registry Number: 182699-77-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • 3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3H)-benzofuranone
  • Wine lactone, (3R, 3aR, 7aR)
  • Wine lactone, (3R, 3aR, 7aS)
  • Wine lactone, (3R, 3aS, 7aR)
  • Wine lactone, (3R, 3aS, 7aS)
  • Wine lactone, (3S, 3aR, 7aR)
  • Wine lactone, (3S, 3aR, 7aS)
  • Wine lactone, (3S, 3aS, 7aS)
  • 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-
• Other names: wine lactone (3a,4,5,7a-Tetrahydro-3,6-dimethyl-2(3H)-benzofuranone); Wine lactone, (3S, 3aS, 7aR); 3,4,5,7a-tetrahydro-3,6-dimethyl-2(3 H)-benzofuranone (wine lactone); 3a,4,5,7a-Tetrahydro-3,6-dimethyl-2(3H)-benzofuranon (wine lactone)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Van Den Dool and Kratz RI, polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
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Van Den Dool and Kratz 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, Van Den Dool and Kratz 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.

Elston, Lin, et al., 2005
Elston, A.; Lin, J.; Rouseff, R., Determination of the role of valencene in orange oil as a direct contributor to aroma quality, Flavour Fragr. J., 2005, 20, 4, 381-386, https://doi.org/10.1002/ffj.1578 . [all data]

Jagella and Grosch, 1999
Jagella, T.; Grosch, W., Flavour and off-flavour compounds of black and white pepper ( Piper nigrum L.) I. Evaluation of potent odorants of black pepper by dilution and concentration techniques, Eur. Food Res. Technol., 1999, 209, 1, 16-21, https://doi.org/10.1007/s002170050449 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References

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