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«alpha»-Santalol


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

Tboil (K) Pressure (bar) Reference Comment
440.20.019Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
58.3308.AStephenson and Malanowski, 1987Based on data from 293. - 450. K.; AC

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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IR 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

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Owner Copyright (C) 1987 by the Coblentz Society
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin COLGATE-PALMOLIVE COMPANY (KELLENBACH)
Source reference COBLENTZ NO. 9757
Date 1974/04/02
Name(s) (2Z)-5-(2,3-dimethyltricyclo[2.2.1.0<2,6>]hept-3-yl)-2-methyl-2-penten-1-ol
State LIQUID (NEAT)
Instrument BECKMAN IR-12 (GRATING)
Instrument parameters GRATING
Path length CAPILLARY (BEAM CONDENSER)
SPECTRAL CONTAMINATION DUE TO H2O VAPOR AROUND1560 REGION, AND AN UNKNOWN AROUND 2360 CM-1
PURITY - GLC FRACTION
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, 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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 161675

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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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Column type Active phase I Reference Comment
CapillaryHP-5MS1671.Saroglou, Arfan, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-5MS1681.1Zeng, Zhao, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryHP-5MS1681.Zeng, Zhao, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryHP-51682.Flamini, Tebano, et al., 200630. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryHP-5MS1677.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-51680.Ertugrul, Dural, et al., 200330. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryDB-51683.Isidorov, Zenkevich, et al., 199830. m/0.25 mm/0.25 «mu»m, 3. K/min; Tstart: 50. C; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1682.9Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB1669.Ayoub, Al-Azizi, et al., 2006He, 10. K/min; Column length: 25. m; Tstart: 80. C; Tend: 270. C
CapillaryNB-301660.Orav, Raal, et al., 200630. m/0.2 mm/0.25 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-11660.Dabiri and Sefidkon, 200160. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-11648.Bailac, Dellacasa, et al., 199960. m/0.25 mm/0.25 «mu»m, N2, 75. C @ 1. min, 4. K/min, 220. C @ 8. min
CapillaryDB-51672.8Gawdzik, Mardarowicz, et al., 199630. m/0.25 mm/0.25 «mu»m, 60. C @ 2. min, 4. K/min, 300. C @ 5. min

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

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Column type Active phase I Reference Comment
CapillarySLB-5 MS1676.Mondello, 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySLB-5 MS1688.Mondello, 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-5MS1643.Deng, Yao, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 50C => 8C/min => 200C => 10C/min => 270C (5min)
CapillaryPolydimethyl siloxanes1667.Zenkevich, 1997Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1843.Sun, Hua, et al., 201030. m/0.32 mm/0.50 «mu»m, Helium; Program: 50 0C (5 min) 3 0C/min -> 210 0C (10 min) 3 0C/min -> 230 0C

References

Go To: Top, Phase change data, IR Spectrum, 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.

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

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