3-Isopropyl-6,8a-dimethyl-1,2,4,5,8,8a-hexahydroazulene
- Formula: C15H24
- Molecular weight: 204.3511
- 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)
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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 | BP-1 | OV-1 | CP Sil 5 CB | CP Sil 5 CB | HP-5MS |
Column length (m) | 50. | 25. | 25. | 25. | 30. |
Carrier gas | He | He | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.4 | 0.25 | |
Tstart (C) | 60. | 50. | 80. | 80. | 60. |
Tend (C) | 220. | 220. | 270. | 270. | 280. |
Heat rate (K/min) | 2. | 3. | 10. | 10. | 3. |
Initial hold (min) | 1. | ||||
Final hold (min) | 20. | 5. | |||
I | 1382. | 1379. | 1380. | 1380. | 1358. |
Reference | Duquesnoy, Dinh, et al., 2006 | Rubiolo P., Matteodo M., et al., 2006 | Ziegenbein, Hanssen, et al., 2006 | Ziegenbein, Hanssen, et al., 2006, 2 | Tzakou, Vagias, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | RTX-5 | RTX-5 | RTX-5 | BP-1 |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 45. | 45. | 45. | 60. |
Tend (C) | 240. | 250. | 250. | 250. | 220. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 2. |
Initial hold (min) | 6. | 6. | 6. | ||
Final hold (min) | 30. | 20. | |||
I | 1380. | 1382. | 1380. | 1384. | 1380. |
Reference | Bader, Caponi, et al., 2003 | Shellie, Marriott, et al., 2003 | Shellie, Mondello, et al., 2002 | Shellie, Mondello, et al., 2002 | Mazzoni, Tomi, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Duquesnoy, Dinh, et al., 2006
Duquesnoy, E.; Dinh, N.H.; Castola, V.; Casanova, J.,
Composition of a Pyrolytic oil from Cupressus funebris Endl. of Vietnamese origin,
Flavour Fragr. J., 2006, 21, 3, 453-457, https://doi.org/10.1002/ffj.1676
. [all data]
Rubiolo P., Matteodo M., et al., 2006
Rubiolo P.; Matteodo M.; Riccio G.; Ballero M.; Christen P.; Fleury-Souverain S.; Veuthey J.L.; Bicchi C.,
Analytical discrimination of poisonous and nonpoisonous chemotypes of giant fennel (Ferula communis L.) through their biologically active and volatile fractions,
J. Agric. Food Chem., 2006, 54, 20, 7556-7563, https://doi.org/10.1021/jf061592t
. [all data]
Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus,
Phytochemistry, 2006, 67, 2, 202-211, https://doi.org/10.1016/j.phytochem.2005.10.025
. [all data]
Ziegenbein, Hanssen, et al., 2006, 2
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Chemical constituents of the essential oils of three wood-rotting fungi,
Flavour Fragr. J., 2006, 21, 5, 813-816, https://doi.org/10.1002/ffj.1732
. [all data]
Tzakou, Vagias, et al., 2004
Tzakou, O.; Vagias, C.; Gani, A.; Yannitsaros, A.,
Volatile constituents of essential oils isolated at different growth stages from three Conyza species growing in Greece,
Flavour Fragr. J., 2004, 19, 425-428. [all data]
Bader, Caponi, et al., 2003
Bader, A.; Caponi, C.; Cioni, P.L.; Flamini, G.; Morelli, I.,
Composition of the essential oil of Ballota undulata, B. nigra ssp. foetida and B. saxatilis,
Flavour Fragr. J., 2003, 18, 6, 502-504, https://doi.org/10.1002/ffj.1257
. [all data]
Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G.,
Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils,
J. Essent. Oil Res., 2003, 15, 5, 305-312, https://doi.org/10.1080/10412905.2003.9698597
. [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]
Mazzoni, Tomi, et al., 1999
Mazzoni, V.; Tomi, F.; Casanova, J.,
A daucane-type sesquiterpene from Faucus carota seed oil,
Flavour Fragr. J., 1999, 14, 5, 268-272, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<268::AID-FFJ823>3.0.CO;2-Z
. [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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