Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, [1R-(1α,5α,6β)]-

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

  
• IUPAC Standard InChIKey: DGZBGCMPRYFWFF-UHFFFAOYSA-N Copy
• CAS Registry Number: 55123-21-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • (1S,5S,6R)-6-Methyl-2-methylene-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]heptane
• Stereoisomers:
  • β-Bergamotene
  • β-trans-Bergamotene
  • β-Bergamotene
• Other names: 6-Methyl-2-methylene-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]heptane-, [1R-(1α,5α,6β)]-; Bergamotene; trans-β-bergamotene; (E)-β-Bergamotene; 6-Methyl-2-methylene-6-(4-methyl-3-pentenyl)-bicyclo[3.1.1]heptane
• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
  • Switch to SI units

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

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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, non-polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Belsito E.L., Carbone C., et al., 2007
Belsito E.L.; Carbone C.; Di Gioia M.L.; Leggio A.; Liguoiri A.; Perri F.; Siciliano C.; Viscomi M.C., Comparison of the volatile constituents in cold-pressed bergamot oil and a volatile oil isolated by vacuum distillation, J. Agric. Food Chem., 2007, 55, 19, 7847-7851, https://doi.org/10.1021/jf070997q . [all data]

Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F., Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR, Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977 . [all data]

Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J., Thymol derivatives from essential oil of Doronicum corsicum L., Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824 . [all data]

Boti J.B., Koukoua G., et al., 2005
Boti J.B.; Koukoua G.; N'Guessan T.Y.; Muselli A.; Bernardini A.F.; Casanova J., Composition of the leaf, stem bark and root bark oils of Isolona cooperi investigated by GC (retention index), GC-MS and C-13-NMR spectroscopy, Phytochem. Anal., 2005, 16, 5, 357-363, https://doi.org/10.1002/pca.857 . [all data]

Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A., Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry, J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131 . [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]

Sinyinda and Gramshaw, 1998
Sinyinda, S.; Gramshaw, J.W., Volatiles of avocado fruit, Food Chem., 1998, 62, 4, 483-487, https://doi.org/10.1016/S0308-8146(97)00190-8 . [all data]

Stashenko, Wiame, et al., 1995
Stashenko, E.; Wiame, H.; Dassy, S.; Martinez, J.R.; Shibamoto, T., Catalytic transformation of copaiba (Copaifera officinalis) oil over zeolite ZSM-5, J. Hi. Res. Chromatogr., 1995, 18, 1, 54-58, https://doi.org/10.1002/jhrc.1240180112 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

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