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

• Formula: C₁₂H₂₀O₂
• Molecular weight: 196.2860
• IUPAC Standard InChI: InChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: RYMWIDNPMDLHRP-UHFFFAOYSA-N Copy
• CAS Registry Number: 370557-87-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • (1R,3R,4R,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel-
  • (1R,3S,4R,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel-
  • (1R,3R,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel
  • Thujyl acetate
  • neo-3-thujyl acetate
• Stereoisomers:
  • 3-Isothujyl acetate
  • neo-iso-3-Thujyl acetate
• Other names: Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, 3-acetate, (1R,3S,4S,5S)-rel-; Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, acetate, (1R,3S,4S,5S)-rel-; Neothujyl acetate; Neo-3-thujyl acetate
• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
  • Switch to calorie-based 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.

Mosayebi, Amin, et al., 2008
Mosayebi, M.; Amin, G.; Arzani, H.; Azarnivand, H.; Maleki, M.; Shafaghat, A., Effect of habitat on essential oil of Achillea filipendula L. in Iran, Asian J. Plant Sci., 2008, 7, 8, 779-781, https://doi.org/10.3923/ajps.2008.779.781 . [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
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