Santolina alcohol

Formula: C₁₀H₁₈O
Molecular weight: 154.2493
IUPAC Standard InChI: InChI=1S/C10H18O/c1-6-9(7-8(2)3)10(4,5)11/h6-7,9,11H,1H2,2-5H3
IUPAC Standard InChIKey: JWGLVEFPXSKNBN-UHFFFAOYSA-N
CAS Registry Number: 21149-19-9
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:
- (S)-2,5-Dimethyl-3-vinylhex-4-en-2-ol
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Information on this page:
Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1038.	Avato, Raffo, et al., 2004	30. m/0.25 mm/0.25 μm, H2, 4. K/min, 280. C @ 30. min; T_start: 40. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	1034.	Tuberoso, Kowalczyk, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min)

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1041.	Saroglou, Dorizas, et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 280. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	RTX-1	1021.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	RTX-1	1029.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	DB-5	1051.	Mosayebi, Amin, et al., 2008	60. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min, 250. C @ 10. min; T_start: 60. C
Capillary	HP-1	1024.	Filippi, Lanfranchi, et al., 2006	50. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 40. min; T_start: 60. C
Capillary	BP-1	1019.	Blanc, Muselli, et al., 2004	50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	DB-5	1038.	Tellez, Canel, et al., 1999	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1036.	Sharopov, Sulaimonova, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
Capillary		1033.	El-Shazily, Hafez, et al., 2004	Program: not specified
Capillary	SE-30	1027.	Vinogradov, 2004	Program: not specified
Capillary	CP Sil 5 CB	1030.	Weyerstahl, Marschall, et al., 1997	N2; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
Capillary	Polydimethyl siloxanes	1027.	Zenkevich, 1997	Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	RTX-Wax	1385.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	HP-20M	1375.	Filippi, Lanfranchi, et al., 2006	50. m/0.2 mm/0.1 μm, He, 2. K/min, 220. C @ 30. min; T_start: 60. C
Capillary	BP-20	1391.	Blanc, Muselli, et al., 2004	50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; T_start: 60. C

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	1382.	Vernin, 1991	Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

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Avato, Raffo, et al., 2004
Avato, P.; Raffo, F.; Aldouri, N.A.; Vartanian, S.T., Essential oils of varthemia iphionoides from Jordan, Flavour Fragr. J., 2004, 19, 6, 559-561, https://doi.org/10.1002/ffj.1351 . [all data]

Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P., Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All., J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913 . [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]

Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J., Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia, Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1 . [all data]

Mosayebi, Amin, et al., 2008
Mosayebi, M.; Amin, G.; Arzani, H.; Azarnivand, H.; Maleki, M.; Shafaghat, A., Effect of habitat on essential oil of Achillea filipendula L. in Iran, Asian J. Plant Sci., 2008, 7, 8, 779-781, https://doi.org/10.3923/ajps.2008.779.781 . [all data]

Filippi, Lanfranchi, et al., 2006
Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J., Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica, J. Agric. Food Chem., 2006, 54, 17, 6308-6313, https://doi.org/10.1021/jf060752y . [all data]

Blanc, Muselli, et al., 2004
Blanc, M.-C.; Muselli, A.; Bradesi, P.; Casanova, J., Chemical composition and variability of the essential oil of Inula graveolens from Corsica, Flavour Fragr. J., 2004, 19, 4, 314-319, https://doi.org/10.1002/ffj.1304 . [all data]

Tellez, Canel, et al., 1999
Tellez, M.R.; Canel, C.; Rimando, A.M.; Duke, S.O., Differential accumulation of isoprenoids in glanded and glandless Artemisia annua L, Phytochemistry, 1999, 52, 6, 1035-1040, https://doi.org/10.1016/S0031-9422(99)00308-8 . [all data]

Sharopov, Sulaimonova, et al., 2012
Sharopov, F.S.; Sulaimonova, V.A.; Setzer, W.N., Composition of the essential oil of Ertemisia absinthium from Tajikistan, Rec. Nat. Prod., 2012, 6, 2, 127-134. [all data]

El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M., Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt, Pharmazie, 2004, 59, 226-230. [all data]

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

Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A., Constituents of the essential oil of Achillea eriophora DC, Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E . [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]

Vernin, 1991
Vernin, G., Volatile constituents of the essential oil of Santolina chamaecyparissus L., J. Essent. Oil Res., 1991, 3, 1, 49-53, https://doi.org/10.1080/10412905.1991.9697907 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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