(E)-2,6-Dimethylocta-2,5,7-trien-4-one
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7+
- IUPAC Standard InChIKey: XUINKEIPBTYUJP-VQHVLOKHSA-N
- CAS Registry Number: 33746-72-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: (E)-Ocimenone; (E)-Tagetenone; trans-Ocimenone; trans-Tagetenone; (E)-Ocimenone (trans-ocimenone); Ocimenone E; (E)-Ocymenone (tagetenone)
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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 | ZB-5 | ZB-5 | SLB-5 MS | SLB-5 MS | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Nitrogen | Nitrogen | Helium | Helium | Hydrogen |
| 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 |
| Program | not specified | not specified | 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) | not specified | not specified |
| I | 1252. | 1252. | 1239. | 1235. | 1239. |
| Reference | Vazques, Aimar, et al., 2011 | Vazquez, Demmel, et al., 2011 | Costa, De Fina, et al., 2008 | Costa, De Fina, et al., 2008 | Pontes, de Olivera, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-5 | SE-30 | HP-5 | Polydimethyl siloxanes |
| Column length (m) | 30. | 30. | ||
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.1 | 0.25 | ||
| Program | 35C => 4C/min => 180C => 20C/min => 280C | not specified | 60C(5min) => 1C/min => 140C => 10C/min => 270C(5min) | not specified |
| I | 1239. | 1216. | 1240. | 1229. |
| Reference | Barros-Filho, Nunes, et al., 2004 | Vinogradov, 2004 | Singh, Singh, et al., 2003 | Zenkevich, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vazques, Aimar, et al., 2011
Vazques, A.M.; Aimar, M.L.; Demmel, G.I.; Criado, S.G.; Ruiz, G.M.; Cantero, J.J.; Rossi, L.I.; Velasco, M.I.,
Determination of volatile organic compounds of Tagetes argentina Cabrera (asteraceae) using HS-SPME analysis,
Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 5, 463-469. [all data]
Vazquez, Demmel, et al., 2011
Vazquez, A.M.; Demmel, G.I.; Criado, S.G.; Aimar, M.L.; Cantero, J.; Rossi, L.I.; Velasco, M.I.,
Phytochemistry of TAgetes minuta L. (Asteraceae) from Cordoba, Argentina: comparative study between essential oil and HS-SPME analyses,
Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 4, 351-362. [all data]
Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L.,
An investigation on the volatile composition of some Artemisia species from Iran,
Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919
. [all data]
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Barros-Filho, Nunes, et al., 2004
Barros-Filho, B.A.; Nunes, F.M.; de Oliveira, M.C.F.; Mafezoli, J.; Andrade-Neto, M.; Silveira, E.R.; Pirani, J.R.,
Volatile constituents from Esenbeckia almawillia (Rutaceae),
Biochem. Syst. Ecol., 2004, 32, 9, 817-821, https://doi.org/10.1016/j.bse.2004.02.003
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Singh, Singh, et al., 2003
Singh, G.; Singh, O.P.; de Lampasona, M.P.; Catalán, C.A.N.,
Studies on essential oils. Part 35: chemical and biocidal investigations on Tagetes erecta leaf volatile oil,
Flavour Fragr. J., 2003, 18, 1, 62-65, https://doi.org/10.1002/ffj.1158
. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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