trans-α-Bergamotene

• 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/h6-7,13-14H,5,8-10H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: YMBFCQPIMVLNIU-UHFFFAOYSA-N Copy
• CAS Registry Number: 13474-59-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)
  • Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-
  • cis-α-Bergamotene
• Stereoisomers:
  • l-trans-α-Bergamotene
  • (-)-α-trans-Bergamotene
  • α-trans-β-Bergamotene
  • cis-α-Bergamotene
  • (E)-α-Bergamotene
  • α-trans-Bergamotene
  • α-cis-Bergamotene
  • α-(E)-Bergamotene
• Other names: 2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene; α-trans-Bergamotene; (E)-α-Bergamotene; α-E-Bergamotene; trans-Bergamotene; (E)-α-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]- hept-2-ene ((E)-α-bergamotene); α-trans-Bergamoptene; Bergamotene (α-trans); trans-α-bergamottene; Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-
• Information on this page:
  • Van Den Dool and Kratz RI, polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
  • Switch to SI units

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.

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]

Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R., Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington, J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721 . [all data]

Bortolomeazzi, Berno, et al., 2001
Bortolomeazzi, R.; Berno, P.; Pizzale, L.; Conte, L.S., Sesquiterpene, alkene, and alkane hydrocarbons in virgin olive oils of different varieties and geographical origins, J. Agric. Food Chem., 2001, 49, 7, 3278-3283, https://doi.org/10.1021/jf001271w . [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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