5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-α,α,3,8-tetramethyl-, [3S-(3α,3aβ,5α)]-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,14,16H,5-9H2,1-4H3/t11-,12-,14+/m1/s1
- IUPAC Standard InChIKey: LGOFSGDSFQNIAT-BZPMIXESSA-N
- CAS Registry Number: 22451-73-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Guai-1(10)-en-11-ol; Bulnesol; 2-(3,8-Dimethyl-1,2,3,3a,4,5,6,7-octahydro-5-azulenyl)-2-propanol
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | RTX-1 | BP-1 | RTX-1 | HP-5MS |
| Column length (m) | 30. | 60. | 50. | 60. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.22 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 240. | 230. | 220. | 220. | 250. |
| Heat rate (K/min) | 3. | 2. | 2. | 2. | 4. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 35. | 20. | 20. | 20. | |
| I | 1667. | 1651. | 1652. | 1645. | 1666. |
| Reference | Maccioni, Baldini, et al., 2007 | Paolini J., Desjobert J.M., et al., 2006 | Boti J.B., Koukoua G., et al., 2005 | Cozzani, Muselli, et al., 2005 | Pino, Mesa, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-1 | HP-5MS | BP-1 | RTX-1 |
| Column length (m) | 30. | 25. | 30. | 50. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.26 | 0.17 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 60. | 60. | 60. |
| Tend (C) | 210. | 200. | 280. | 230. | 230. |
| Heat rate (K/min) | 3. | 3. | 4. | 2. | 2. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 35. | 45. | |||
| I | 1669. | 1630. | 1672. | 1656. | 1656. |
| Reference | Sati and Mathela, 2005 | Fernández-Ocaña, Gómez-Rodríguez, et al., 2004 | Karioti, Hadjipavlou-Litina, et al., 2004 | Bianchini, Tomi, et al., 2003 | Cavalli, Tomi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PE-5 | DB-5 | BP-1 | DB-5 | Mega 5MS |
| Column length (m) | 30. | 30. | 50. | 30. | 30. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 75. | 60. | 60. | 40. |
| Tend (C) | 280. | 230. | 230. | 240. | 240. |
| Heat rate (K/min) | 3. | 3. | 2. | 3. | 3. |
| Initial hold (min) | 10. | 2. | |||
| Final hold (min) | 20. | 35. | |||
| I | 1664. | 1667. | 1656. | 1666. | 1675. |
| Reference | Isidorov and Vinogorova, 2003 | Jantan, Ling, et al., 2003 | Bianchini, Tomi, et al., 2001 | Nogueira, Bittrich, et al., 2001 | Verzera, Trozzi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.26 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 50. |
| Tend (C) | 225. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | 20. |
| I | 1659. |
| Reference | Sagrero-Nieves, Bartley, et al., 1997 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Maccioni, Baldini, et al., 2007
Maccioni, S.; Baldini, R.; Luigi Cioni, P.; Tebano, M.; Flamini, G.,
In vivo volatiles emission and essential oils from different organs and pollen of Cistus albidus from Caprione (Eastern Liguria, Italy),
Flavour Fragr. J., 2007, 22, 1, 61-65, https://doi.org/10.1002/ffj.1759
. [all data]
Paolini J., Desjobert J.M., et al., 2006
Paolini J.; Desjobert J.M.; Costa J.; Bernardini A.F.; Castellini C.B.; Cioni P.L.; Flamini G.; Morelli I.,
Composition of essential oils of Helichrysum italicum (Roth) G. Don fil subsp. italicum from Tuscan archipelago islands,
Flavour Fragr. J., 2006, 21, 5, 805-808, https://doi.org/10.1002/ffj.1726
. [all data]
Boti J.B., Koukoua G., et al., 2005
Boti J.B.; Koukoua G.; N'Guessan T.Y.; Muselli A.; Bernardini A.F.; Casanova J.,
Composition of the leaf, stem bark and root bark oils of Isolona cooperi investigated by GC (retention index), GC-MS and C-13-NMR spectroscopy,
Phytochem. Anal., 2005, 16, 5, 357-363, https://doi.org/10.1002/pca.857
. [all data]
Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J.,
Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica,
Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463
. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Sati and Mathela, 2005
Sati, S.; Mathela, C.S.,
Essential oil composition of Valeriana hardwickii var. arnottiana from the Himalayas,
Flavour Fragr. J., 2005, 20, 3, 299-301, https://doi.org/10.1002/ffj.1415
. [all data]
Fernández-Ocaña, Gómez-Rodríguez, et al., 2004
Fernández-Ocaña, A.M.; Gómez-Rodríguez, M.V.; Velasco-Negueruela, A.; Camacho-Simarro, A.M.; Fernández-López, C.; Altarejos, J.,
In vivo antifungal activity of the essential oil of Bupleurum gibraltarium against plasmopara halstedii in sunflower,
J. Agric. Food Chem., 2004, 52, 21, 6414-6417, https://doi.org/10.1021/jf040219n
. [all data]
Karioti, Hadjipavlou-Litina, et al., 2004
Karioti, A.; Hadjipavlou-Litina, D.; Mensah, M.L.K.; Fleischer, T.C.; Skaltsa, H.,
Composition and antioxidant activity of the essential oils of Xylopia aethiopica (Dun) A. Rich. (Annonaceae) leaves, stem bark, root bark, and fresh and dried fruits, growing in Ghana,
J. Agric. Food Chem., 2004, 52, 26, 8094-8098, https://doi.org/10.1021/jf040150j
. [all data]
Bianchini, Tomi, et al., 2003
Bianchini, A.; Tomi, P.; Bernardini, A.F.; Morelli, I.; Flamini, G.; Cioni, P.L.; Usai, M.; Marchetti, M.,
A comparative study of volatile constituents of two Helichrysum italicum (Roth) Guss. Don Fil subspecies growing in Corsica (France), Tuscany and Sardinia (Italy),
Flavour Fragr. J., 2003, 18, 6, 487-491, https://doi.org/10.1002/ffj.1231
. [all data]
Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
. [all data]
Isidorov and Vinogorova, 2003
Isidorov, V.A.; Vinogorova, V.T.,
GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra,
Z. Naturforsch. C:, 2003, 58, 355-360. [all data]
Jantan, Ling, et al., 2003
Jantan, I.; Ling, Y.E.; Romli, S.; Ayop, N.; Ahmad, A.S.,
A comparative study of the constituents of the essential oils of three Cinnamomum species from Malaysia,
J. Essent. Oil Res., 2003, 15, 6, 387-391, https://doi.org/10.1080/10412905.2003.9698618
. [all data]
Bianchini, Tomi, et al., 2001
Bianchini, A.; Tomi, P.; Costa, J.; Bernardini, A.F.,
Composition of Helichrysum italicum (Roth) G. Don fil. subsp. italicum essential oils from Corsica (France),
Flavour Fragr. J., 2001, 16, 1, 30-34, https://doi.org/10.1002/1099-1026(200101/02)16:1<30::AID-FFJ941>3.0.CO;2-F
. [all data]
Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2
. [all data]
Verzera, Trozzi, et al., 2000
Verzera, A.; Trozzi, A.; Cotroneo, A.; Lorenzo, D.; Dellacassa, E.,
Uruguayan essential oil. 12. Composition of Nova and Satsuma mandarin oils,
J. Agric. Food Chem., 2000, 48, 7, 2903-2909, https://doi.org/10.1021/jf990734z
. [all data]
Sagrero-Nieves, Bartley, et al., 1997
Sagrero-Nieves, L.; Bartley, J.P.; Griselda Espinosa, B.; Dominguez, X.A.; Julia Verde S.,
Essential oil composition of Aristolochia brevipes Benth.,
Flavour Fragr. J., 1997, 12, 6, 401-403, https://doi.org/10.1002/(SICI)1099-1026(199711/12)12:6<401::AID-FFJ673>3.0.CO;2-D
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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