Bicyclo[3.1.1]heptan-3-ol, 2,6,6-trimethyl-, (1α,2β,3α,5α)-

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

  
• IUPAC Standard InChIKey: REPVLJRCJUVQFA-UHFFFAOYSA-N Copy
• CAS Registry Number: 27779-29-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • Bicyclo[3.1.1]heptan-3-ol, 2,6,6-trimethyl-, [1R-(1α,2β,3α,5α)]-
  • Dehydroisocarveol
  • Pinocampheol
• Stereoisomers:
  • [1R-(1α,2α,3β,5α)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
  • [1R-(1α,2β,3β,5α)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
  • Pinocampheol
• Other names: 3-Pinanol, stereoisomer; Isopinocampheol; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-ol-, (1R,2R,3R,5S)-rel-; (1α,2β,3α,5α)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Options:
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Phase change data

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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: Robert L. Brown and Stephen E. Stein

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

Kovats' RI, non-polar column, custom temperature program

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

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

El-Shazly, Dorai, et al., 2002
El-Shazly, A.; Dorai, G.; Wink, M., Composition and antimicrobial activity of essential oil and hexane-ether extract of Tanacetum santolinoides (DC.) Feinbr. and Fertig, Z. Naturforsch., 2002, 57c, 620-623. [all data]

Pintore, Usai, et al., 2002
Pintore, G.; Usai, M.; Bradesi, P.; Juliano, C.; Boatto, G.; Tomi, F.; Chessa, M.; Cerri, R.; Casanova, J., Chemical composition and antimicrobial activity of Rosmarinus officinalis L. oils from Sardinia and Corsica, Flavour Fragr. J., 2002, 17, 1, 15-19, https://doi.org/10.1002/ffj.1022 . [all data]

Isidorov, Zenkevich, et al., 1998
Isidorov, V.A.; Zenkevich, I.G.; Dubis, E.N.; Slowikowski, A.; Wojciuk, E., Group identification of essential oils components using partition coefficients in a hexane-acetonitrile system, J. Chromatogr. A, 1998, 814, 1-2, 253-260, https://doi.org/10.1016/S0021-9673(98)00398-7 . [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Pala-Paul, Perez-Alonso, et al., 2005
Pala-Paul, J.; Perez-Alonso, M.J.; Velasco-Negueruela, A.; Vadare, J.; Villa, A.M.; Sanz, J.; Brophy, J.J., Essential oil composition of the different parts of Eryngium bourgatii Gouan from Spain, J. Chromatogr. A, 2005, 1074, 1-2, 235-239, https://doi.org/10.1016/j.chroma.2005.03.036 . [all data]

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

Zenkevich, 1997
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons, Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]

Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M., Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]

Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  Tboil

  Boiling point

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