1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3α,3aβ,7β,8aα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m0/s1
- IUPAC Standard InChIKey: DYLPEFGBWGEFBB-KYEXWDHISA-N
- CAS Registry Number: 546-28-1
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cedr-8(15)-ene; β-Cedrene; (+)-β-Cedrene; (3R,3aS,7S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene; [3R-(3α,3aβ,7β,8aα)]-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
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Van Den Dool and Kratz RI, 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-20 | BP-20 | HP-Wax | BP-20 | DB-Wax |
| Column length (m) | 50. | 50. | 30. | 50. | 30. |
| Carrier gas | He | He | N2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 | 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) | 220. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 2. | 2. | 5. | 2. | 5. |
| Initial hold (min) | 10. | 10. | |||
| Final hold (min) | 20. | 20. | 20. | ||
| I | 1599. | 1592. | 1638. | 1596. | 1606. |
| Reference | Duquesnoy, Castola, et al., 2007 | Duquesnoy, Dinh, et al., 2006 | Flamini, Tebano, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Bertoli, Menichini, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-Wax | BP-20 | HP-Wax | Carbowax 20M |
| Column length (m) | 30. | 50. | 30. | 60. |
| Carrier gas | N2 | N2 | He | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.425 |
| Tstart (C) | 60. | 60. | 60. | 45. |
| Tend (C) | 220. | 220. | 220. | 300. |
| Heat rate (K/min) | 5. | 2. | 5. | 3. |
| Initial hold (min) | 10. | 10. | 3. | |
| Final hold (min) | 20. | 20. | ||
| I | 1630. | 1595. | 1638. | 1606. |
| Reference | Bertoli, Pistelli, et al., 2004 | Gonny, Bradesi, et al., 2004 | Bader, Caponi, et al., 2003 | Mondello, Dugo, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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, Castola, et al., 2007
Duquesnoy, E.; Castola, V.; Casanova, J.,
Composition and chemical variability of the twig oil of Abies alba Miller from Corsica,
Flavour Fragr. J., 2007, 22, 4, 293-299, https://doi.org/10.1002/ffj.1796
. [all data]
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]
Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A.,
A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Bertoli, Menichini, et al., 2004
Bertoli, A.; Menichini, F.; Noccioli, C.; Morelli, I.; Pistelli, L.,
Volatile constituents of different organs of Psoralea bituminosa L.,
Flavour Fragr. J., 2004, 19, 2, 166-171, https://doi.org/10.1002/ffj.1315
. [all data]
Bertoli, Pistelli, et al., 2004
Bertoli, A.; Pistelli, L.; Morelli, I.; Fraternale, D.; Giamperi, L.; Ricci, D.,
Volatile constituents of different parts (roots, stems and leaves) of Smyrnium olusatrum L.,
Flavour Fragr. J., 2004, 19, 6, 522-525, https://doi.org/10.1002/ffj.1382
. [all data]
Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J.,
Identification of the components of the essential oil from wild Corsican Daucus carota L. using 13C-NMR spectroscopy,
Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330
. [all data]
Bader, Caponi, et al., 2003
Bader, A.; Caponi, C.; Cioni, P.L.; Flamini, G.; Morelli, I.,
Acorenone in the essential oil of flowering aerial parts of Seseli tortuosum L.,
Flavour Fragr. J., 2003, 18, 1, 57-58, https://doi.org/10.1002/ffj.1154
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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