3-Thujanol
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(9,11)6-9/h7-8,11H,4-6H2,1-3H3
- IUPAC Standard InChIKey: IKXCCPWTSIENLL-UHFFFAOYSA-N
- 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. - Other names: Thujan-3-ol; 3-Thujanol (neoisothujanol)
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1166. | Adams, 1999 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-5 | 1166. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | RTX-5 | 1167. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | HP-5 | 1166. | Couladis, Tsortanidou, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 380. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1145. | Monser-Esfahani, Karamkhani, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1. min, 2.5 K/min, 260. C @ 20. min |
| Capillary | SPB-5 | 1166. | Stojanovic, Palic, et al., 2006 | He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | SPB-5 | 1177. | Cornu, Kondjoyan, et al., 2005 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min; Tend: 230. C |
| Capillary | CP Sil 5 CB | 1155. | Agnaniet, Menut, et al., 2004 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | HP-5 | 1161. | Pitarokili, Tzakou, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1166. | Velickovic, Randjelovic, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | DB-5MS | 1157. | Cherchi, Deidda, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | OV-101 | 1119. | Menon, Chacko, et al., 1999 | N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1120. | Vinogradov, 2004 | Program: not specified |
| Capillary | SE-30 | 1152. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1595. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 1610. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [all data]
Shellie, Mondello, et al., 2002
Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G.,
Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2002, 970, 1-2, 225-234, https://doi.org/10.1016/S0021-9673(02)00653-2
. [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]
Monser-Esfahani, Karamkhani, et al., 2007
Monser-Esfahani, H.R.; Karamkhani, F.; Nickavar, B.; Abdi, K.; Faramarzi, M.A.,
The Volatile Constituents of Dracocephalum kotschyi Oils,
Chem. Nat. Comp., 2007, 43, 1, 40-43, https://doi.org/10.1007/s10600-007-0027-z
. [all data]
Stojanovic, Palic, et al., 2006
Stojanovic, G.; Palic, I.; Ursic-Jankovic, J.,
Composition and antimicrobial activity of the essential oil of Micromeria cristata and Micromeria juliana,
Flavour Fragr. J., 2006, 21, 1, 77-79, https://doi.org/10.1002/ffj.1507
. [all data]
Cornu, Kondjoyan, et al., 2005
Cornu, A.; Kondjoyan, N.; Martin, B.; Verdier-Metz, I.; Pradel, P.; Berdague, J.-L.; Coulon, J.-B.,
Terpene profiles in Cantal and Saint-Nectairetype cheese made from raw or pasteurised milk,
J. Sci. Food Agric., 2005, 85, 12, 2040-2046, https://doi.org/10.1002/jsfa.2214
. [all data]
Agnaniet, Menut, et al., 2004
Agnaniet, H.; Menut, C.; Bessière, J.-M.,
Aromatic plants of tropical central Africa. Part XLIX: chemical composition of essential oils of the leaf and rhizome of Aframomum giganteum K. Schum from Gabon,
Flavour Fragr. J., 2004, 19, 3, 205-209, https://doi.org/10.1002/ffj.1403
. [all data]
Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C.,
Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens,
J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534
. [all data]
Velickovic, Randjelovic, et al., 2002
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Smelcerovic, A.A.; Velickovic, A.S.,
Chemical composition and antimicrobial action of the ethanol extracts of Salvia pratensis L., Salvia glutinosa L. and Salvia aethiopis L.,
J. Serb. Chem. Soc., 2002, 67, 10, 639-646, https://doi.org/10.2298/JSC0210639V
. [all data]
Cherchi, Deidda, et al., 2001
Cherchi, G.; Deidda, D.; de Gioannis, B.; Marongiu, B.; Pompei, R.; Porcedda, S.,
Extraction of Santolina insularis essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity,
Flavour Fragr. J., 2001, 16, 1, 35-43, https://doi.org/10.1002/1099-1026(200101/02)16:1<35::AID-FFJ942>3.0.CO;2-Y
. [all data]
Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S.,
Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill),
Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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