(1S,3S,4S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol

• 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 Copy

  
• IUPAC Standard InChIKey: DZVXRFMREAADPP-UHFFFAOYSA-N Copy
• CAS Registry Number: 7712-79-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • 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)-
• Stereoisomers:
  • neo-Thujan-3-ol
  • neo-Isothujan-3-ol
  • Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1α,3β,4β,5α)-
  • Thujol
  • cis-Thujanol
  • Iso-3-Thujol
  • Neo-3-Thujol
  • Neo iso-3-Thujol
  • neo-iso-Thujanol
  • iso-3-Thujanol
• Other names: Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1S,3S,4S,5R)-; 3-Thujanol, (1S,3S,4S,5R)-(+)-; Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, [1S-(1α,3α,4β,5α)]-; (+)-3-Thujanol; (+)-Isothujol; 3-Thujanol, (+)-; Isothujol, (+)-; iso-3-Thujanol
• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
  • Switch to SI units

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.

Ghannadi and Zolfaghari, 2003
Ghannadi, A.; Zolfaghari, B., Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran, Flavour Fragr. J., 2003, 18, 3, 237-239, https://doi.org/10.1002/ffj.1215 . [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
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.