α-Santalol

• Formula: C₁₅H₂₄O
• Molecular weight: 220.3505
• IUPAC Standard InChI: InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11?,12?,13?,14?,15- Copy

  
• IUPAC Standard InChIKey: PDEQKAVEYSOLJX-NVFXPZDQSA-N Copy
• CAS Registry Number: 115-71-9
• 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.
• Stereoisomers:
  • (E)-α-santalol
  • (Z)-α-Santalol
  • β-(Z)-Santalol
  • (Z)-epi-β-Santalol
  • (E)-α-Santalol
• Other names: 2-Penten-1-ol, 5-(2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl)-2-methyl-, [R(Z)]-; (+)-α-Santalol; cis-α-Santalol; Sandal; Santalol A; d-α-Santalol; alpha-Santalol; (Z)- α-Santalool; 14490-13-2; 29887-36-3; α-Santanol; 5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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, 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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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, IR Spectrum, Gas Chromatography, Notes

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Saroglou, Arfan, et al., 2007
Saroglou, V.; Arfan, M.; Shabir, A.; Hadjipavlou-Litina, D.; Skaltsa, H., Composition and antioxidant activity of the essential oil of Teucrium royleanum Wall. ex Benth growing in Pakistan, Flavour Fragr. J., 2007, 22, 2, 154-157, https://doi.org/10.1002/ffj.1774 . [all data]

Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D., Comparative analysis of volatile components from Clematis species growing in China, Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022 . [all data]

Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A., A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey, Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Ertugrul, Dural, et al., 2003
Ertugrul, K.; Dural, H.; Tugay, O.; Flamini, G.; Cioni, P.L.; Morelli, I., Essential oils from flowers of Centaurea kotschyi var. kotschyi and C. kotschyi var. decumbens from Turkey, Flavour Fragr. J., 2003, 18, 2, 95-97, https://doi.org/10.1002/ffj.1168 . [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]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Ayoub, Al-Azizi, et al., 2006
Ayoub, N.; Al-Azizi, M.; König, W.; Kubeczka, K.-H., Essential oils and a novel polyacetylene from Eryngium yuccifolium Michaux. (Apiaceae), Flavour Fragr. J., 2006, 21, 6, 864-868, https://doi.org/10.1002/ffj.1631 . [all data]

Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T., Composition of the essential oil of Artemisia absinthium L. of different geographical origin, Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]

Dabiri and Sefidkon, 2001
Dabiri, M.; Sefidkon, F., Analysis of the essential oil from aerial parts of Perovskia atriplicifolia Benth. at different stages of plant growth, Flavour Fragr. J., 2001, 16, 6, 435-438, https://doi.org/10.1002/ffj.988 . [all data]

Bailac, Dellacasa, et al., 1999
Bailac, P.N.; Dellacasa, A.D.; Duschatzky, C.B.; Firpo, N.; Ponzi, M.I., Composicion del aceite esencial y actividad antimicrobiana de Aloysia gratissima de San Luis - Argentina, An. Asoc. Quim. Argent., 1999, 87, 3/4, 149-153. [all data]

Gawdzik, Mardarowicz, et al., 1996
Gawdzik, J.; Mardarowicz, M.; Suprynowicz, Z.; Kawka, S.; Wolski, T., Supercritical fluid extraction of essential oils from the fruits of Archangelica off. Hoffm. and their characterization by GC/MS, J. Hi. Res. Chromatogr., 1996, 19, 4, 237-240, https://doi.org/10.1002/jhrc.1240190416 . [all data]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Deng, Yao, et al., 2005
Deng, C.; Yao, N.; Wang, A.; Zhang, X., Determination of essential oil in a traditional Chinese medicine, Fructus amomi by pressurized hot water extraction followed by liquid-phase microextraction and gas chromatography-mass spectrometry, Anal. Chim. Acta., 2005, 536, 1-2, 237-244, https://doi.org/10.1016/j.aca.2004.12.044 . [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]

Sun, Hua, et al., 2010
Sun, Q.-L.; Hua, S.; Ye, J.-H.; Zheng, X.-Q.; Liang, Y.-R., Flavonoids and volatiles in Chrysanthemum morifolium Ramat flower from Tongxiang County in China, Afr. J. Biotechnol., 2010, 9, 25, 3817-3821. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH	Enthalpy of vaporization

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