Caryophyllene

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1 Copy

  
• IUPAC Standard InChIKey: NPNUFJAVOOONJE-IOMPXFEGSA-N Copy
• CAS Registry Number: 87-44-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-deriv.
  • (E)-Caryophyllene
  • trans-β-Caryophyllene
  • (E)-β-Caryophyllene
• Stereoisomers:
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-
  • (1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
  • 9-epi-Caryophyllene
  • cis-Caryophyllene
  • (+)(E)-Caryophyllene
  • 2-epi-(E)- β-Caryophyllene
  • 9-epi-β-Caryophyllene
  • cis-Caryophyllene
  • 2-epi-(E)-β-Caryophyllene
  • β-cis-Caryophyllene
  • Isocaryophyllene
• Other names: Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-; Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)-; β-Caryophyllen; β-Caryophyllene; trans-Caryophyllene; L-Caryophyllene; Bicyclo(7.2.0)undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-; 8-Methylene-4,11,11-(trimethyl)bicyclo(7.2.0)undec-4-ene, (1R,4E,9S)-; beta-Caryophyllene; β-(E)-Caryophyllene; β-trans-Caryophyllene; Caryophyllene, (E); E-β-Caryophyllene; (E)-Caryophyllene; trans-β-Caryophyllene; (-)-(E)-Caryophyllene; Caryophyllene B; NSC 11906; t-β-caryophyllene; β-Caryophillene; 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene; β-cariofillene; β-caryophellene; bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-[1R-(4E,9S)]; (E)-β-Caryophylene
• Information on this page:
  • Phase change data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
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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: William E. Acree, Jr., James S. Chickos

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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.

Hoskovec, Grygarová, et al., 2005
Hoskovec, Michal; Grygarová, Dana; Cvacka, Josef; Streinz, Ludvík; Zima, Jirí; Verevkin, Sergey P.; Koutek, Bohumír, Determining the vapour pressures of plant volatiles from gas chromatographic retention data, Journal of Chromatography A, 2005, 1083, 1-2, 161-172, https://doi.org/10.1016/j.chroma.2005.06.006 . [all data]

Notes

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• Symbols used in this document:
  

  ΔvapH°

  Enthalpy of vaporization at standard conditions

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