α-Bisabolol

• Formula: C₁₅H₂₆O
• Molecular weight: 222.3663
• IUPAC Standard InChI: InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1 Copy

  
• IUPAC Standard InChIKey: RGZSQWQPBWRIAQ-CABCVRRESA-N Copy
• CAS Registry Number: 515-69-5
• 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:
  • epi-α-Bisabolol
• Stereoisomers:
  • Levomenol
  • 6-epi-α-Bisabolol
  • 7-epi-α-Bisabolol
  • Bisabolol (isomer A)
  • cis-α-Bisabolol
  • epi-α-Bisabolol
  • α-epi-Bisabolol
• Other names: Bisabolol; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-pentenyl)-, (R*,R*)-; 5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-; α,4-Dimethyl-α-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol; 6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol; (R*,R*)-α,4-Dimethyl-α-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol; (R*,R*)-α,4-Dimethyl-α-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αR,1R)-rel-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-pentenyl)-, (αR,1R)-rel-; Camilol; Dragosantol; Hydagen B; dl-α-Bisabolol; α-bisabolool; α-Bisabalol
• Information on this page:
  • Van Den Dool and Kratz RI, polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
  • Switch to calorie-based units

Van Den Dool and Kratz RI, 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, Van Den Dool and Kratz RI, 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.

Kundakovic, Fokialakis, et al., 2007
Kundakovic, T.; Fokialakis, N.; Kovacevic, N.; Chinou, I., Essential oil composition of Achillea lingulata and A. umbellata, Flavour Fragr. J., 2007, 22, 3, 184-187, https://doi.org/10.1002/ffj.1778 . [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]

Cavalli, Tomi, et al., 2006
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J., Chemical variability of the essential oil of Helichrysum faradifani Sc. Ell. from Madagascar, Flavour Fragr. J., 2006, 21, 1, 111-114, https://doi.org/10.1002/ffj.1531 . [all data]

Duquesnoy, Dinh, et al., 2006
Duquesnoy, E.; Dinh, N.H.; Castola, V.; Casanova, J., Composition of a Pyrolytic oil from Cupressus funebris Endl. of Vietnamese origin, Flavour Fragr. J., 2006, 21, 3, 453-457, https://doi.org/10.1002/ffj.1676 . [all data]

Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A., A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey, Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3 . [all data]

Paolini J., Desjobert J.M., et al., 2006
Paolini J.; Desjobert J.M.; Costa J.; Bernardini A.F.; Castellini C.B.; Cioni P.L.; Flamini G.; Morelli I., Composition of essential oils of Helichrysum italicum (Roth) G. Don fil subsp. italicum from Tuscan archipelago islands, Flavour Fragr. J., 2006, 21, 5, 805-808, https://doi.org/10.1002/ffj.1726 . [all data]

Choi, 2005
Choi, H.-S., Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil, J. Agric. Food Chem., 2005, 53, 5, 1642-1647, https://doi.org/10.1021/jf040324x . [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]

Verzera, Trozzi, et al., 2005
Verzera, A.; Trozzi, A.; Zappala, M.; Condurso, C.; Cotroneo, A., Essential Oil Composition of Citrus meyerii Y. Tan. and Citrus medica L. cv. Diamante and Their Lemon Hybrids, J. Agric. Food Chem., 2005, 53, 12, 4890-4894, https://doi.org/10.1021/jf047879c . [all data]

Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J., Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar, Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263 . [all data]

Chisholm, Wilson, et al., 2003
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M., Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle), Flavour Fragr. J., 2003, 18, 2, 106-115, https://doi.org/10.1002/ffj.1172 . [all data]

Bianchini, Tomi, et al., 2001
Bianchini, A.; Tomi, P.; Costa, J.; Bernardini, A.F., Composition of Helichrysum italicum (Roth) G. Don fil. subsp. italicum essential oils from Corsica (France), Flavour Fragr. J., 2001, 16, 1, 30-34, https://doi.org/10.1002/1099-1026(200101/02)16:1<30::AID-FFJ941>3.0.CO;2-F . [all data]

Lota, Serra, et al., 1999
Lota, M.-L.; Serra, D.R.; Tomi, F.; Bessiere, J.-M.; Casanova, J., Chemical composition of peel and leaf essential oils of Citrus medica L. and C. limonimedica Lush., Flavour Fragr. J., 1999, 14, 3, 161-166, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<161::AID-FFJ801>3.0.CO;2-8 . [all data]

Bicchi, Rubiolo, et al., 1998
Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R., Constituents of Artemisia roxburghiana Besser essential oil, Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z . [all data]

Mariotti, Costa, et al., 1997
Mariotti, J.P.; Costa, J.; Bianchini, A.; Bernardini, A.F.; Casanova, J., Composition and variability of the essential oil of Stachys glutinosa L. from Corsica (France), Flavour Fragr. J., 1997, 12, 3, 205-209, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<205::AID-FFJ636>3.0.CO;2-I . [all data]

Granicher, Christen, et al., 1995
Granicher, F.; Christen, P.; Kapetanidis, I., Essential oils from normal and hairy roots of valeriana officinalis var. sambucifolia, Phytochemistry, 1995, 40, 5, 1421-1424, https://doi.org/10.1016/0031-9422(95)00492-P . [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, 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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