Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1α,3β,4β,5α)-

• 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-ITRGKUQCSA-N Copy
• CAS Registry Number: 31187-53-8
• 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)]-
  • Thujol
  • 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: Neoisothujyl alcohol; 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol-, (1α,3β,4β,5α)-; Neoisothujol
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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

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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

Van Den Dool and Kratz RI, polar column, temperature ramp

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Normal alkane RI, polar column, temperature ramp

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References

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

Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y., Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1, J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027 . [all data]

Shimoda, Shiratsuchi, et al., 1993
Shimoda, M.; Shiratsuchi, H.; Minegishi, Y.; Osajima, Y., Flavor deterioration of nonfermented coarse-cut sausage during storage. Flavor as a factor of quality for nonfermented sausage. 2, J. Agric. Food Chem., 1993, 41, 6, 946-950, https://doi.org/10.1021/jf00030a021 . [all data]

Notes

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