Bergamotol, Z-α-trans-

• Formula: C₁₅H₂₄O
• Molecular weight: 220.3505
• IUPAC Standard InChI: InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5- Copy

  
• IUPAC Standard InChIKey: JGINTSAQGRHGMG-WZUFQYTHSA-N Copy
• CAS Registry Number: 88034-74-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Bergamotol
  • (E)-trans-α-bergamota-2,10-dien-12-ol
  • trans-α-Bergamotol
  • (Z)-α-Bergamotol
  • (E)-trans-Bergamota-2,12-dien-14-ol
  • α-Bergamotol
  • (Z)-Bergamotol acetate
  • trans-α-(Z)-Bergamotol
  • (Z)-α-trans-Bergamotene
  • trans-α-Bergamotol
• Other names: 5-(2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methyl-2-penten-1-ol-, [1S-[1a,5a,6a(Z)]]-; α-trans-Bergamotenol; (Z)-α-trans-Bergamotol; (Z,E)- α-Bergamotol; (Z)-trans- α-Bergamotol; (Z)-α-Bergamotol; trans-(Z)-α-Bergamotol
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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

Kovats' RI, non-polar column, custom temperature program

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

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

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

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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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.

Khan, Srivastava, et al., 2003
Khan, M.; Srivastava, S.K.; Jain, N.; Syamasundar, K.V.; Yadav, A.K., Chemical composition of fruit and stem essential oils of Lantana camara from northern India, Flavour Fragr. J., 2003, 18, 5, 376-379, https://doi.org/10.1002/ffj.1197 . [all data]

Santos, Andrade, et al., 1998
Santos, A.S.; Andrade, E.H.A.; Zoghbi, M.G.B.; Maia, J.G.S., Volatile constituents of fruits of Annona glabra L. from Brazil, Flavour Fragr. J., 1998, 13, 3, 148-150, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<148::AID-FFJ711>3.0.CO;2-Y . [all data]

Sati and Mathela, 2005
Sati, S.; Mathela, C.S., Essential oil composition of Valeriana hardwickii var. arnottiana from the Himalayas, Flavour Fragr. J., 2005, 20, 3, 299-301, https://doi.org/10.1002/ffj.1415 . [all data]

Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2 . [all data]

Shellie, Marriott, et al., 2004
Shellie, R.; Marriott, P.; Morrison, P., Comprehensive two-dimensional gas chromatography with flame ionization and time-of-flight mass spectrometry detection: qualitative and quantitative analysis of West Australian sandalwood oil, J. Chromatogr. Sci., 2004, 42, 8, 417-422, https://doi.org/10.1093/chromsci/42.8.417 . [all data]

Maronigiu, Piras, et al., 2006
Maronigiu, B.; Piras, A.; Porcedda, S.; Tuveri, E., Extraction of Santalum album and Boswellia carterii Birdw. volatile oil by supercritical carbon dioxide: influence of some process parameters, Flavour Fragr. J., 2006, 21, 4, 718-724, https://doi.org/10.1002/ffj.1718 . [all data]

Sabulal, Dan, et al., 2006
Sabulal, B.; Dan, M.; Anil, J.J.; Kurup, R.; Pradeep, N.S.; Valsamma, R.K.; George, V., Caryophyllene-rich rhizome oil of Zingiber nimmonii from South India: Chemical characterization and antimicrobial activity, Phytochemistry, 2006, 67, 22, 2469-2473, https://doi.org/10.1016/j.phytochem.2006.08.003 . [all data]

Sabulal, Dan, et al., 2006, 2
Sabulal, B.; Dan, M.; Pradeep, N.S.; Valsamma, R.K.; George, V., Composition and antimicrobial activity of essential oil from the fruits of Amomum cannicarpum, Acta Pharm. Sin., 2006, 56, 473-480. [all data]

Fakhari A.R., Sonboli A., et al., 2005
Fakhari A.R.; Sonboli A.; Heydari R., Composition of the essential oil of Rhabdosciadium strausii from Iran, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 4, 413-414, https://doi.org/10.1007/s10600-005-0164-1 . [all data]

Senatore, Rigano, et al., 2004
Senatore, F.; Rigano, D.; de Fusco, R.; Bruno, M., Composition of the essential oil from flowerheads of Chrysanthemum coronarium L. (Asteraceae) growing wild in Southern Italy, Flavour Fragr. J., 2004, 19, 2, 149-152, https://doi.org/10.1002/ffj.1285 . [all data]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Karimi, Farmany, et al., 2011
Karimi, H.; Farmany, A.; Noorizadeh, H., Prediction of linear retention index of Teucrium chamaedrys volatiles in GCxGC-TOF/MS by linear model, World Appl. Sci. J., 2011, 15, 8, 1086-1088. [all data]

Notes

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