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:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Options:
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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

Go To: Top, Mass spectrum (electron ionization), 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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, temperature ramp

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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, temperature ramp

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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, isothermal

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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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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

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Sabulal, B.; Dan, M.; John, A.; Kurup, R.; Chandrika, S.P.; George, V., Phenylbutanoid-rich rhizome oil of Zingiber neesanum from Western Ghats, southern India, Flavour Fragr. J., 2007, 22, 6, 521-524, https://doi.org/10.1002/ffj.1834 . [all data]

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Grujic-Jovanovic, Skaltsa, et al., 2004
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Mardarowicz, Wianowska, et al., 2004
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Tzakou, Vagias, et al., 2004
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Zheng, Kim, et al., 2004
Zheng, C.H.; Kim, T.H.; Kim, K.H.; Leem, Y.H.; Lee, H.J., Characterization of potent aroma compounds in Chrysanthemum coronarium L. (Garland) using aroma extract dilution analysis, Flavour Fragr. J., 2004, 19, 5, 401-405, https://doi.org/10.1002/ffj.1447 . [all data]

Bader, Flamini, et al., 2003
Bader, A.; Flamini, G.; Cioni, P.L.; Morelli, I., Essential oil composition of Achillea santolina L. and Achillea biebersteinii Afan. collected in Jordan, Flavour Fragr. J., 2003, 18, 1, 36-38, https://doi.org/10.1002/ffj.1147 . [all data]

Bougatsos, Meyer, et al., 2003
Bougatsos, C.; Meyer, J.J.M.; Magiatis, P.; Vagias, C.; Chinou, I.B., Composition and antimicrobial activity of the essential oils of Helichrysum kraussii Sch. Bip. and H. rugulosum Less. from south Africa, Flavour Fragr. J., 2003, 18, 1, 48-51, https://doi.org/10.1002/ffj.1152 . [all data]

Cavaleiro, Salgueiro, et al., 2003
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Tabanca, Kirimer, et al., 2001
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Kamariah, Lim, et al., 1999
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Notes

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