2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-

• 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 Copy

  
• IUPAC Standard InChIKey: NQWBFQXRASPNLB-UHFFFAOYSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • 3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3H)-benzofuranone
• Stereoisomers:
  • Wine lactone
  • 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)
• Other names: Wine lactone
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Options:
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Gas Chromatography

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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

Normal alkane RI, polar column, temperature ramp

View large format table.

References

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

Miyazawa, Fujita, et al., 2010
Miyazawa, N.; Fujita, A.; Kubota, K., Aroma character impact compounds in Kinokuni Mandarin Orange (Citrus kinikuni) compared with Satsuma Mandarin Orange, Biosci. Biotechnol. Biochem., 2010, 74, 4, 835-842, https://doi.org/10.1271/bbb.90937 . [all data]

Notes

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