β-Santalol
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+/t13-,14-,15+/m1/s1
- IUPAC Standard InChIKey: OJYKYCDSGQGTRJ-AKZWGNFOSA-N
- CAS Registry Number: 77-42-9
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Beta-santalol; β-Santalol (Z); 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-, [1S-[1α,2α(Z),4α]]-; β-(Z)-Santalol; (Z)-β-Santalol; 2-Penten-1-ol, 2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl]-, (2Z)-; (2Z)-2-Methyl-5-((1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-ol; [1S-[1α,2α(Z),4α]]-2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-ol
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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
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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. 9758 |
| Date | 1974/04/02 |
| Name(s) | (2Z)-2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-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 AROUND 1500-1600, 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 |
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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | R. RYHAGE KAROLINSKA INSTITUTET, STOCKHOLM |
| NIST MS number | 22687 |
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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1703. | Simionatto, Porto, et al., 2005 | 25. m/0.25 mm/0.2 μm, H2, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-5 | 1713. | Couladis, Tsortanidou, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 380. C |
| Capillary | DB-5 | 1720. | Isidorov, Zenkevich, et al., 1998 | 30. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 50. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1723.9 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | BPX-5 | 1732. | Shellie, Marriott, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SOLGel-Wax | 2391. | Shellie, Marriott, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1720. | Pripdeevech and Saansoomchai, 2013 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 230. C |
| Capillary | RTX-5 MS | 1716. | Watcharananun, Cadwallader, et al., 2009 | 30. m/0.25 mm/0.50 μm, Helium, 35. C @ 5. min, 6. K/min, 225. C @ 10. min |
| Capillary | DB-5MS | 1680. | Maronigiu, Piras, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
| Capillary | DB-5 | 1694. | Nickavar B., Kamalinejad M., et al., 2006 | 30. m/0.25 mm/0.25 μm, 50. C @ 0.5 min, 2.5 K/min; Tend: 265. C |
| Capillary | BP-1 | 1678. | Mallavarapu, Kulkarni, et al., 1999 | 25. m/0.50 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1689. | Deng, Yao, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 8C/min => 200C => 10C/min => 270C (5min) |
| Capillary | SE-30 | 1694. | Vinogradov, 2004 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1731. | Zenkevich, 1997 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1694. | Zenkevich, 1997 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Stabilwax | 2434. | Watcharananun, Cadwallader, et al., 2009 | 30. m/0.25 mm/0.50 μm, Helium, 35. C @ 5. min, 6. K/min, 225. C @ 10. min |
References
Go To: Top, 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.
Simionatto, Porto, et al., 2005
Simionatto, E.; Porto, C.; da Silva, U.F.; Squizani, A.; Dalcol, I.I.; Morel, A.F.,
Composition and antimicrobial activity of the essential oil from Aloysia sellowii,
J. Braz. Chem. Soc., 2005, 16, 6B, 1458-1462, https://doi.org/10.1590/S0103-50532005000800028
. [all data]
Couladis, Tsortanidou, et al., 2001
Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C.,
Composition of the essential oils of Argyranthemum species growing in the Canary Islands,
Flavour Fragr. J., 2001, 16, 2, 103-106, https://doi.org/10.1002/ffj.954
. [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]
Shellie, Marriott, et al., 2004
Shellie, R.; Marriott, P.; Morrison, P.,
Comprehensive two-dimensional gas chromatography with flame ionization and time-of-flight mass spectrometry detection: qualitative and quantitative analysis of West Australian sandalwood oil,
J. Chromatogr. Sci., 2004, 42, 8, 417-422, https://doi.org/10.1093/chromsci/42.8.417
. [all data]
Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J.,
Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers,
Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]
Watcharananun, Cadwallader, et al., 2009
Watcharananun, W.; Cadwallader, K.R.; Huangrak, K.; Kim, H.; Lorjaroenphon, Y.,
Identification of predominant odorants in Thai desserts flavored by smoking with Tian Op, a traditional Thai scented candle,
J. Agric. Food Chem., 2009, 57, 3, 996-1005, https://doi.org/10.1021/jf802674c
. [all data]
Maronigiu, Piras, et al., 2006
Maronigiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.,
Extraction of Santalum album and Boswellia carterii Birdw. volatile oil by supercritical carbon dioxide: influence of some process parameters,
Flavour Fragr. J., 2006, 21, 4, 718-724, https://doi.org/10.1002/ffj.1718
. [all data]
Nickavar B., Kamalinejad M., et al., 2006
Nickavar B.; Kamalinejad M.; Mohandesi S.,
Comparison of the components of the essential oils from leaves and fruits of Grammosciadium platycarpum,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 6, 686-688, https://doi.org/10.1007/s10600-006-0252-x
. [all data]
Mallavarapu, Kulkarni, et al., 1999
Mallavarapu, G.R.; Kulkarni, R.N.; Baskaran, K.; Rao, L.; Ramesh, S.,
Influence of plant growth stage on the essential oil content and composition in Davana (Artemisia pallens Wall.),
J. Agric. Food Chem., 1999, 47, 1, 254-258, https://doi.org/10.1021/jf980624c
. [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]
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]
Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
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