(E)-4-((1R,5S)-2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one-rel-

• Formula: C₁₄H₂₂O
• Molecular weight: 206.3239
• IUPAC Standard InChI: InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+ Copy

  
• IUPAC Standard InChIKey: JZQOJFLIJNRDHK-CMDGGOBGSA-N Copy
• CAS Registry Number: 472-46-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • 6-Methyl ionone
• Stereoisomers:
  • α-Irone
  • cis-α-Irone
  • trans-α-Irone
• Other names: 3-Buten-2-one, 4-[(1R,5S)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl]-, (3E)-rel-; 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, [1α(E),5α]-; cis-α-Irone
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
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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

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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.

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Notes

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