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:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
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Normal alkane RI, non-polar column, temperature ramp

Go To: Top, References, Notes

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, Normal alkane 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.

Sandoval-Montemayor, Garcia, et al., 2012
Sandoval-Montemayor, N.E.; Garcia, A.; Elizondo-Trevino, E.; Garza-Gonzales, E.; Alvarez, L.; Camacho-Corona, M. delR., Chemical composition of hexane extract of Citrus aurantifolia and anti-mycobacterium tuberculosis activity of some of its constituents, Molecules, 2012, 17, 12, 11173-11184, https://doi.org/10.3390/molecules170911173 . [all data]

Ayoub, Al-Azizi, et al., 2006
Ayoub, N.; Al-Azizi, M.; König, W.; Kubeczka, K.-H., Essential oils and a novel polyacetylene from Eryngium yuccifolium Michaux. (Apiaceae), Flavour Fragr. J., 2006, 21, 6, 864-868, https://doi.org/10.1002/ffj.1631 . [all data]

Tonzibo, Coffy, et al., 2006
Tonzibo, Z.F.; Coffy, A.A.; Chalachat, J.C.; N'guessan, Y.T., Chemical composition of essential oils of Hoslundia opposita Vahl. from Ivory Coast., Flavour Fragr. J., 2006, 21, 5, 789-791, https://doi.org/10.1002/ffj.1715 . [all data]

Szafranek, Chrapkowska, et al., 2005
Szafranek, B.; Chrapkowska, K.; Pawinska, M.; Szafranek, J., Analysis of leaf surface sesquiterpenes in potato varieties, J. Agric. Food Chem., 2005, 53, 8, 2817-2822, https://doi.org/10.1021/jf040437g . [all data]

Limberger, Simões-Pires, et al., 2003
Limberger, R.P.; Simões-Pires, C.A.; Sobral, M.; Menut, C.; Bessiere, J.-M.; Henriques, A.T., Essential oils of six Gomidesia spp. from southern Brazil, Flavour Fragr. J., 2003, 18, 2, 144-147, https://doi.org/10.1002/ffj.1122 . [all data]

Boyom, Keumedjio, et al., 2002
Boyom, F.F.; Keumedjio, F.; Dongmo, P.M.J.; Ngadjui, B.T.; Zollo, A.; Menut, C.; Bessiere, J.M., Essential oils from Croton zambesicus Muell. Arg. growing in Cameroon, Flavour Fragr. J., 2002, 17, 3, 215-217, https://doi.org/10.1002/ffj.1081 . [all data]

Phutdhawong, Korth, et al., 2002
Phutdhawong, W.; Korth, J.; Buddhasukh, D.; Pyne, S.G., Volatile components from Cephalotaxus griffithii growing in northern Thailand, Flavour Fragr. J., 2002, 17, 2, 153-155, https://doi.org/10.1002/ffj.1064 . [all data]

Asekun and Ekundayo, 1999
Asekun, O.T.; Ekundayo, O., Constituents of the leaf essential oil of Cedrela odorata L. from Nigeria, Flavour Fragr. J., 1999, 14, 6, 390-392, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<390::AID-FFJ850>3.0.CO;2-3 . [all data]

Oberhofer, Nikiforov, et al., 1999
Oberhofer, B.; Nikiforov, A.; Buchbauer, G.; Jirovetz, L.; Bicchi, C., Investigation of the alteration of the composition of various essential oils used in aroma lamp applications, Flavour Fragr. J., 1999, 14, 5, 293-299, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<293::AID-FFJ829>3.0.CO;2-T . [all data]

Elias, Simoneit, et al., 1997
Elias, V.O.; Simoneit, B.R.T.; Cardoso, J.N., Analysis of volatile sesquiterpenoids in environmental and geological samples, J. Hi. Res. Chromatogr., 1997, 20, 6, 305-309, https://doi.org/10.1002/jhrc.1240200602 . [all data]

Sagrero-Nieves and Bartley, 1996
Sagrero-Nieves, L.; Bartley, J.P., Volatile components from the leaves of heterotheca inuloides Cass., Flavour Fragr. J., 1996, 11, 1, 49-51, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<49::AID-FFJ538>3.0.CO;2-J . [all data]

Ramaswami, Briscese, et al., 1988
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T., Sesquiterpene hydrocarbons: from mass confusion to orderly line-up in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 951-980. [all data]

Ramaswami, Briscese, et al., 1986
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T., Sesquiterpene hydrocarbons: from mass confusion to orderly line-up in Flavors and Fragrances: A World Perspective, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Proceedings of the 10th International Congress of Essential Oils, Fragrances, and Flavors, Washington, DC, 1986, 951-959. [all data]

Notes

Go To: Top, Normal alkane 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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