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
• 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:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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.

Carrer, Vanderlinde, et al., 2007
Carrer, R.P.; Vanderlinde, R.; Dutra, S.; Marcon, A.; Echeverrigaray, S., Essential oil variation among Brazilian accessions of Salvia guaranitica L., Flavour Fragr. J., 2007, 22, 5, 430-434, https://doi.org/10.1002/ffj.1817 . [all data]

Kaack, Christensen, et al., 2005
Kaack, K.; Christensen, L.P.; Hughes, M.; Eder, R., The relationship between sensory quality and volatile compounds in raw juice processed from elderberries ( Sambucus nigra L.), Eur. Food Res. Technol., 2005, 221, 3-4, 244-254, https://doi.org/10.1007/s00217-005-1141-4 . [all data]

Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J., Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves, J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975 . [all data]

Dugo, Mondello, et al., 2004
Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T., The composition of the volatile fraction and the enantiomeric distribution of five volatile components of faustrime oil (Monocitrus australatica x Fortunella sp. x Citrus aurantifolia), J. Essent. Oil Res., 2004, 16, 4, 328-333, https://doi.org/10.1080/10412905.2004.9698734 . [all data]

Lorenzo, Loayza, et al., 2003
Lorenzo, D.; Loayza, I.; Dellacassa, E., Composition of the essential oils from leaves of two Hedyosmum spp. from Bolivia, Flavour Fragr. J., 2003, 18, 1, 32-35, https://doi.org/10.1002/ffj.1146 . [all data]

Hudaib, Speroni, et al., 2002
Hudaib, M.; Speroni, E.; di Pietra, A.M.; Cavrini, V., GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle, J. Pharm. Biomed. Anal., 2002, 29, 4, 691-700, https://doi.org/10.1016/S0731-7085(02)00119-X . [all data]

Lorenzo, Paz, et al., 2002
Lorenzo, D.; Paz, D.; Dellacassa, E.; Davies, P.; Vila, R.; Cañigueral, S., Essential oils of Mentha pulegium and Mentha rotundifolia from Uruguay, Braz. Arch. Biol. Technol., 2002, 45, 4, 519-524, https://doi.org/10.1590/S1516-89132002000600016 . [all data]

Cavalli, Ranarivelo, et al., 2001
Cavalli, J.-F.; Ranarivelo, L.; Ratsimbason, M.; Bernardini, A.-F.; Casanova, J., Constituents of the essential oil of six Helichrysum species from Madagascar, Flavour Fragr. J., 2001, 16, 4, 253-256, https://doi.org/10.1002/ffj.994 . [all data]

Lorenzo, Saavedra, et al., 2001
Lorenzo, D.; Saavedra, G.; Loayza, I.; Dellacassa, E., Composition of the essential oil of Erechtites hieracifolia from Bolivia, Flavour Fragr. J., 2001, 16, 5, 353-355, https://doi.org/10.1002/ffj.1010 . [all data]

Steinhaus and Schieberle, 2000
Steinhaus, M.; Schieberle, P., Comparison of the most odor-active compounds in fresh and dried hop cones (Humulus lupulus L. variety Spalter Select) based on GC-olfactometry and odor dilution techniques, J. Agric. Food Chem., 2000, 48, 5, 1776-1783, https://doi.org/10.1021/jf990514l . [all data]

Bisio, Ciarallo, et al., 1998
Bisio, A.; Ciarallo, G.; Romussi, G.; Fontana, N.; Mascolo, N.; Capasso, R.; Biscardi, D., Chemical Composition of Essential Oils from some Salvia species, Phytother. Res., 1998, 12, S1, s117-s120, https://doi.org/10.1002/(SICI)1099-1573(1998)12:1+3.0.CO;2-2 . [all data]

Chanegriha, Baaliouamer, et al., 1998
Chanegriha, N.; Baaliouamer, A.; Rolando, C., Polarity changes during capillary gas chromatographic and gas chromatographic-mass spectrometric analysis using serially coupled columns of different natures and temperature programming. Application to the identification of constituents of essential oils, J. Chromatogr. A, 1998, 819, 1-2, 61-65, https://doi.org/10.1016/S0021-9673(98)00449-X . [all data]

Iversen, Jakobsen, et al., 1998
Iversen, C.K.; Jakobsen, H.B.; Olsen, C.-E., Aroma changes during black currant (Ribes nigrum L.) nectar processing, J. Agric. Food Chem., 1998, 46, 3, 1132-1136, https://doi.org/10.1021/jf970513y . [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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