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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Other data available:
- IR Spectrum
- Mass spectrum (electron ionization)
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Gas Chromatography

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; T_start: 50. C; T_end: 250. C
Capillary	HP-5	1713.	Couladis, Tsortanidou, et al., 2001	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 380. C
Capillary	DB-5	1720.	Isidorov, Zenkevich, et al., 1998	30. m/0.25 mm/0.25 μm, 3. K/min; T_start: 50. C; T_end: 250. C

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

View large format table.

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

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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

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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; T_start: 60. C; T_end: 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; T_start: 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; T_end: 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; T_start: 60. C

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

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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

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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

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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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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