Humulene

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ Copy

  
• IUPAC Standard InChIKey: FAMPSKZZVDUYOS-HRGUGZIWSA-N Copy
• CAS Registry Number: 6753-98-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: α-Caryophyllene; 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-; α-Humulene; Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl-, (E,E,E)-; 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene-, (1E,4E,8E)-; α-Humulenen; α-Humulene (α-caryophyllene); α-Humullene; (E)-α-Caryophyllene; α-Humulen
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Phase change data

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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: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

Gas phase ion energetics data

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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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Martin, Heller, et al., 1980
Martin, H.-D.; Heller, C.; Mayer, B.; Beckhaus, H.-D., Synthese bicyclischer, nicht-konjugierter Polyene. Stereochemie und transanulare Wechselwirkungen, Chem. Ber., 1980, 113, 2589. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  Tboil

  Boiling point

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