(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, polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
  • Switch to calorie-based units

Normal alkane 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, Normal alkane 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.

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Tunalier, Kirimer, et al., 2002
Tunalier, Z.; Kirimer, N.; Baser, K.H.C., The composition of essential oils from various parts of Juniperus foetidissima, Chem. Nat. Compd. (Engl. Transl.), 2002, 38, 1, 43-47, https://doi.org/10.1023/A:1015725630556 . [all data]

Notes

Go To: Top, Normal alkane RI, polar column, custom temperature program, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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