3-Isopropyl-6,8a-dimethyl-1,2,4,5,8,8a-hexahydroazulene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,11H,5-6,8-10H2,1-4H3
- IUPAC Standard InChIKey: MGMBZNCFUFRSSP-UHFFFAOYSA-N
- CAS Registry Number: 16661-00-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Azulene, 2,3,3a,4,7,8-hexahydro-3a,6-dimethyl-1-(1-methylethyl)-; Azulene, 1,2,4,5,8,8a-hexahydro-3-isopropyl-6,8a-dimethyl-; Azulene, 1,2,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-; Daucene; Dauca-4,8-diene (Daucene)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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Normal alkane 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 | RTX-1 | CP-Sil 5 CB | DB-5 | Methyl Silicone | DB-1 |
| Column length (m) | 60. | 30. | 30. | 50. | 50. |
| Carrier gas | Helium | Nitrogen | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 50. | 45. | 50. | 95. |
| Tend (C) | 230. | 200. | 250. | 240. | 240. |
| Heat rate (K/min) | 2. | 5. | 3. | 3. | 4. |
| Initial hold (min) | 3. | ||||
| Final hold (min) | 5. | 5. | |||
| I | 1380. | 1384. | 1387. | 1380. | 1370. |
| Reference | Bendiabdellah, El Amine Dib, et al., 2012 | Hnawia, Menut, et al., 2009 | Porto, Decorti, et al., 2009 | Ozcan and Chalchat, 2007 | Pala-Paul, Brophy, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-1 | DB-1 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 50. | 50. | 25. |
| Carrier gas | He | Helium | N2 | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.4 |
| Tstart (C) | 40. | 60. | 95. | 95. | 60. |
| Tend (C) | 260. | 260. | 240. | 240. | 260. |
| Heat rate (K/min) | 4. | 3. | 4. | 4. | 5. |
| Initial hold (min) | 5. | 40. | |||
| Final hold (min) | |||||
| I | 1379. | 1378. | 1370. | 1370. | 1377. |
| Reference | Askari and Sefidkon, 2006 | Javidnia, Miri, et al., 2006 | Palá-Paúl, Pérez-Alonso, et al., 2005 | Pala-Paul, Perez-Alonso, et al., 2005 | Baser, Özek, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-5MS |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 60. |
| Tend (C) | 240. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1382. |
| Reference | Zoghbi, Andrade, et al., 1999 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A.,
Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria,
Chem. Centr. J., 2012, 6, 48, 1-22. [all data]
Hnawia, Menut, et al., 2009
Hnawia, E.; Menut, C.; Agrebi, A.; Cabalion, P.,
Wood essential oil of two endemic trees from New Caledonia: Callitris sulcata (Parl.) Schltr. and Callitris neocaledonica Dummer,
Biochem. Systematics Ecol., 2009, 36, 11, 859-866, https://doi.org/10.1016/j.bse.2008.08.007
. [all data]
Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I.,
Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods,
Food Chem., 2009, 112, 4, 1072-1078, https://doi.org/10.1016/j.foodchem.2008.07.015
. [all data]
Ozcan and Chalchat, 2007
Ozcan, M.M.; Chalchat, J.C.,
Chemical Composition od Carrot Seeds (Daucus carota L.) Cultivated in Turkey: Characterization of the Seed Oil and Essential Oil,
Grasas y Aceites, 2007, 58, 4, 359-365. [all data]
Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
J. Chromatogr. A, 2007, 1175, 2, 289-293, https://doi.org/10.1016/j.chroma.2007.10.061
. [all data]
Askari and Sefidkon, 2006
Askari, F.; Sefidkon, F.,
Essential oil composition of Pimpinella affinis Ledeb. from two localities in Iran,
Flavour Fragr. J., 2006, 21, 5, 754-756, https://doi.org/10.1002/ffj.1619
. [all data]
Javidnia, Miri, et al., 2006
Javidnia, K.; Miri, R.; Kamalinejad, M.; Mehdipour, A.R.,
Composition of the essential oil of Diplotaenia cachrydifolia Boiss. from Iran,
J. Ess. Oil Res., 2006, 18, 1, 86-87, https://doi.org/10.1080/10412905.2006.9699393
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 2005
Palá-Paúl, J.; Pérez-Alonso, M.; Velasco-Negueruela, A.; Vadaré, J.; Villa, A.M.; Sanz, J.; Brophy, J.J.,
Analysis of the essential oil composition from the different parts of Eryngium glaciale Boiss. from Spain,
J. Chromatogr. A, 2005, 1094, 1-2, 179-182, https://doi.org/10.1016/j.chroma.2005.09.029
. [all data]
Pala-Paul, Perez-Alonso, et al., 2005
Pala-Paul, J.; Perez-Alonso, M.J.; Velasco-Negueruela, A.; Vadare, J.; Villa, A.M.; Sanz, J.; Brophy, J.J.,
Essential oil composition of the different parts of Eryngium bourgatii Gouan from Spain,
J. Chromatogr. A, 2005, 1074, 1-2, 235-239, https://doi.org/10.1016/j.chroma.2005.03.036
. [all data]
Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Kürkcüoglu, M.; Aytac, Z.; Duman, H.,
Composition of the essential oils of Zosima absinthifolia (Vent.) Link and Ferula elaeochytris Korovin from Turkey,
Flavour Fragr. J., 2000, 15, 6, 371-372, https://doi.org/10.1002/1099-1026(200011/12)15:6<371::AID-FFJ919>3.0.CO;2-Z
. [all data]
Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S.,
Volatile constituents from leaves and flowers of Alpinia speciosa K. Schum. and A. purpurata (Viell.) Schum.,
Flavour Fragr. J., 1999, 14, 6, 411-414, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<411::AID-FFJ854>3.0.CO;2-U
. [all data]
Notes
Go To: Top, Normal alkane 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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