β-Guaiene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m1/s1
- IUPAC Standard InChIKey: GIBQERSGRNPMEH-VXGBXAGGSA-N
- CAS Registry Number: 88-84-6
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S-cis)-; Guaia-1(5),7(11)-diene; Guaiene; 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)-azulene; 1,4-Dimethyl-7-(1-methylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene, (1S,cis)-; β-cis-Guaiene; beta-Guaiene; cis-β-Guaiene; (E)-β-Guaiene; β-guainene; cis-β-Guainene; (1S-cis)-1,2,3,4,5,6,7,8-octahydro-7-isopropylidene-1,4-dimethylazulene
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Normal alkane 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 | HP-Innowax | BP-20 | DB-Wax | HP-Innowax | DB-Wax |
| Column length (m) | 30. | 25. | 60. | 60. | 30. |
| Carrier gas | He | Nitrogen | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.50 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.17 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 40. | 50. | 60. |
| Tend (C) | 210. | 200. | 200. | 220. | 250. |
| Heat rate (K/min) | 4. | 5. | 2. | 5. | 3. |
| Initial hold (min) | 3. | 2. | 5. | ||
| Final hold (min) | 15. | ||||
| I | 1667. | 1673. | 1671. | 1651. | 1663. |
| Reference | Ferretti, Maggi, et al., 2005 | Mallavarapu, Rao, et al., 2000 | Umano, Hagi, et al., 2000 | Stashenko, Cervantes, et al., 1998 | Abreu and Noronha, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Supelcowax-10 | Supelcowax-10 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | ||
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 50. |
| Tend (C) | 240. | 240. |
| Heat rate (K/min) | 4. | 4. |
| Initial hold (min) | 2. | 2. |
| Final hold (min) | 10. | 10. |
| I | 1667. | 1667. |
| Reference | Ramaswami, Briscese, et al., 1988 | Ramaswami, Briscese, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Ferretti, Maggi, et al., 2005
Ferretti, G.; Maggi, F.; Tirillini, B.,
Essential oil composition of Hypericum richeri Vill. from Italy,
Flavour Fragr. J., 2005, 20, 3, 295-298, https://doi.org/10.1002/ffj.1412
. [all data]
Mallavarapu, Rao, et al., 2000
Mallavarapu, G.R.; Rao, L.; Ramesh, S.,
Volatile constituents of the leaf and fruit oils of Murraya koenigii Spreng.,
L. Ess. Oil Res., 2000, 12, 6, 766-768, https://doi.org/10.1080/10412905.2000.9712211
. [all data]
Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738
. [all data]
Stashenko, Cervantes, et al., 1998
Stashenko, E.E.; Cervantes, M.; Combariza, Y.; Martínez, J.R.,
HRGC-FID-MSD Analysis of the Secondary Metabolites Obtained by Different Extraction Methods from Lepechinia schiedeana, and Evaluation of its Antioxidant Activity in vitro
in 20th International Symposium on Capillary Chromatography, 1998, 1-11. [all data]
Abreu and Noronha, 1997
Abreu, P.M.; Noronha, R.G.,
Volatile constituents of the rhizomes of Aframomum alboviolaceum (Ridley) K. Schum. from Guinea-Bissau,
Flavour Fragr. J., 1997, 12, 2, 79-83, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<79::AID-FFJ617>3.0.CO;2-7
. [all data]
Ramaswami, Briscese, et al., 1988
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T.,
Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 951-980. [all data]
Ramaswami, Briscese, et al., 1986
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T.,
Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
in Flavors and Fragrances: A World Perspective, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Proceedings of the 10th International Congress of Essential Oils, Fragrances, and Flavors, Washington, DC, 1986, 951-959. [all data]
Notes
Go To: Top, Normal alkane 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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