Thujol

• Formula: C₁₀H₁₈O
• Molecular weight: 154.2493
• IUPAC Standard InChI: InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7?,8?,9-,10?/m1/s1 Copy

  
• IUPAC Standard InChIKey: DZVXRFMREAADPP-OWTMBLHMSA-N Copy
• CAS Registry Number: 35732-37-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • neo-Thujan-3-ol
  • neo-Isothujan-3-ol
  • Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, [1S-(1α,3α,4α,5α)]-
  • Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1α,3β,4β,5α)-
  • Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-
  • (1S,3S,4S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol
  • cis-Thujanol
  • Iso-3-Thujol
  • Neo-3-Thujol
  • Neo iso-3-Thujol
  • neo-iso-Thujanol
  • iso-3-Thujanol
• Other names: Thujyl alcohol; THUJANOL; (1α,3α,4α,5α)-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-ol
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• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Van Den Dool and Kratz 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, 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.

Stashenko, Jaramillo, et al., 2004
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R., Analysis of volatile secondary metabolites from Colombian Xylopia aromatica (Lamarck) by different extraction and headspace methods and gas chromatography, J. Chromatogr. A, 2004, 1025, 1, 105-113, https://doi.org/10.1016/j.chroma.2003.10.059 . [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]

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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