5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-, [2S-[2α(R*),5α]]-
- Formula: C15H24O2
- Molecular weight: 236.3499
- IUPAC Standard InChI: InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12?,14-,15-/m1/s1
- IUPAC Standard InChIKey: FJKKZNIYYVEYOL-JENMUQSASA-N
- CAS Registry Number: 20482-11-5
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: 5-Hepten-3-one, 6-methyl-2-(tetrahydro-5-methyl-5-vinyl-2-furyl)-, (+)-; Davanone; 5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-; 5-Hepten-3-one, 6-methyl-2-(tetrahydro-5-methyl-5-vinyl-2-furyl)-; cis-Davanone
- Information on this page:
- Other data available:
- Options:
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 | OV-1 | DBP-5 | DBP-5 | DB-1 | DB-5 |
| Column length (m) | 30. | 25. | 25. | 60. | 25. |
| Carrier gas | Helium | Helium | Helium | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.22 | 0.22 | 0.25 | 0.15 |
| Tstart (C) | 40. | 40. | 40. | 60. | 50. |
| Tend (C) | 300. | 250. | 250. | 250. | 200. |
| Heat rate (K/min) | 4. | 3. | 3. | 5. | 4. |
| Initial hold (min) | 2. | 1. | 1. | 3. | |
| Final hold (min) | 10. | 10. | 10. | 10. | |
| I | 1561. | 1554. | 1554. | 1567. | 1552. |
| Reference | Nibret and Wink, 2009 | Heravi and Sereshti, 2007 | Sereshti and Samadi, 2007 | Hadian, Sonboli, et al., 2006 | Ouamba, Ouabonzi, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | DB-5 | HP-5MS | DB-1 | SPB-1 |
| Column length (m) | 30. | 30. | 30. | 50. | 30. |
| Carrier gas | He | He | He | N2 | N2 |
| 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 | 0.25 |
| Tstart (C) | 60. | 35. | 60. | 95. | 70. |
| Tend (C) | 275. | 220. | 280. | 240. | 180. |
| Heat rate (K/min) | 4. | 2.5 | 4. | 4. | 2. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 6. | 1. | |||
| I | 1593. | 1588. | 1608. | 1580. | 1553. |
| Reference | Hajhashemi V., Ghannadi A., et al., 2004 | Rohloff, Mordal, et al., 2004 | Sadeghpour, Asghari, et al., 2004 | Perez-Alonso, Velasco-Negueruela, et al., 2003 | Kamath, Asha, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | BP-1 |
| Column length (m) | 25. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.50 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 60. |
| Tend (C) | 220. |
| Heat rate (K/min) | 5. |
| Initial hold (min) | |
| Final hold (min) | 10. |
| I | 1567. |
| Reference | Mallavarapu, Kulkarni, 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.
Nibret and Wink, 2009
Nibret, E.; Wink, M.,
Volatile components of four Ethiopian Artemisia species extracts and their in vitro antipatrypanosomal and cytotoxic activities,
Phytomedicine, 2009, 00, 0, 000-000. [all data]
Heravi and Sereshti, 2007
Heravi, M.J.; Sereshti, H.,
Determination of Essential Oil Components of Artemisia haussknechtii Boiss. using Simultaneous Hydrodistillation-Static Headspace Liquid Phase Microextraction - Gas Chromatography Mass Spectrometry,
J. Chromatogr. A, 2007, 1160, 1-2, 81-89, https://doi.org/10.1016/j.chroma.2007.05.096
. [all data]
Sereshti and Samadi, 2007
Sereshti, H.; Samadi, S.,
Comparison of hydrodistillation-headspace liquid phase microextraction techniques with hydrodistillation in determination of essential oils in Artemisia Haussknechtii Boiss,
JSUT, 2007, 33, 2, 7-17. [all data]
Hadian, Sonboli, et al., 2006
Hadian, J.; Sonboli, A.; Ebrahimi, S.N.; Mirjalili, M.H.,
Essential oil composition of Nepeta satureioides from Iran,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 2, 175-177, https://doi.org/10.1007/s10600-006-0071-0
. [all data]
Ouamba, Ouabonzi, et al., 2006
Ouamba, J.-M.; Ouabonzi, A.; Ekouya, A.; Bessière, J.-M.; Menut, C.; Abena, A.A.; Banzouzi, J.-T.,
Volatile constituents of the essential oil leaf of Lantana salvifolia Jacq. (Verbenaceae),
Flavour Fragr. J., 2006, 21, 1, 158-161, https://doi.org/10.1002/ffj.1553
. [all data]
Hajhashemi V., Ghannadi A., et al., 2004
Hajhashemi V.; Ghannadi A.; Jafarabadi H.,
Black cumin seed essential oil, as a potent analgesic and antiinflammatory drug,
Phytother. Res., 2004, 18, 3, 195-199, https://doi.org/10.1002/ptr.1390
. [all data]
Rohloff, Mordal, et al., 2004
Rohloff, J.; Mordal, R.; Dragland, S.,
Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway,
J. Agric. Food Chem., 2004, 52, 6, 1742-1748, https://doi.org/10.1021/jf0352430
. [all data]
Sadeghpour, Asghari, et al., 2004
Sadeghpour, O.; Asghari, G.; Ardekani, M.R.S.,
Composition of essential oil of Artemisia persica Boiss. from Iran,
Iran. J. Pharm. Res., 2004, 3, 65-67. [all data]
Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J.,
Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone,
Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0
. [all data]
Kamath, Asha, et al., 2001
Kamath, A.; Asha, M.R.; Ravi, R.; Narasimhan, S.; Rajalakshmi, D.,
Comparative study of odour and GC-olfactometric profiles of selected essential oils,
Flavour Fragr. J., 2001, 16, 6, 401-407, https://doi.org/10.1002/ffj.1020
. [all data]
Mallavarapu, Kulkarni, et al., 1999
Mallavarapu, G.R.; Kulkarni, R.N.; Baskaran, K.; Rao, L.; Ramesh, S.,
Influence of plant growth stage on the essential oil content and composition in Davana (Artemisia pallens Wall.),
J. Agric. Food Chem., 1999, 47, 1, 254-258, https://doi.org/10.1021/jf980624c
. [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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