5,7-Octadien-4-one, 2,6-dimethyl-, (E)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7+
- IUPAC Standard InChIKey: RJXKHBTYHGBOKV-VQHVLOKHSA-N
- CAS Registry Number: 6752-80-3
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: trans-Tagetone; (5E)-2,6-Dimethyl-5,7-octadien-4-one; (E)-Tagetone; (E)-2,6-Dimethylocta-5,7-dien-4-one
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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 | DB-5 | DB-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | Nitrogen | Nitrogen | Nitrogen | Nitrogen | Helium |
| 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 | |
| Tstart (C) | 40. | 40. | 60. | 60. | 60. |
| Tend (C) | 200. | 200. | 250. | 250. | 220. |
| Heat rate (K/min) | 5. | 5. | 4. | 5. | 4. |
| Initial hold (min) | 5. | 5. | 1. | ||
| Final hold (min) | 5. | 10. | |||
| I | 1150. | 1151. | 1126. | 1129. | 1146. |
| Reference | Vazques, Aimar, et al., 2011 | Vazquez, Demmel, et al., 2011 | Yousefzadi, Heidari, et al., 2011 | Meshkatalsadat, Safaei-Ghomi. J., et al., 2010 | Morteza-Semnani, Saeedi, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-1 |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.33 |
| Tstart (C) | 40. |
| Tend (C) | 260. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 5. |
| Final hold (min) | 20. |
| I | 1122. |
| Reference | Senatore, Napolitano, et al., 2004 |
| 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.
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]
Yousefzadi, Heidari, et al., 2011
Yousefzadi, M.; Heidari, M.; Akbarpour, M.; Mirjalili, M.H.; Zainali, A.; Parsa, M.,
in vitro cytotoxic activity of the essential oil of Dorema ammoniacum D. Don.,
Middle-East J. Sci. Res., 2011, 7, 4, 511-514. [all data]
Meshkatalsadat, Safaei-Ghomi. J., et al., 2010
Meshkatalsadat, M.H.; Safaei-Ghomi. J.; Moharramipour, S.; Nasseri, M.,
Chemical characterization of volatile components of Tagetes minuta L. cultivated in South West of Iran by nano scale injection,
Digest J. Nanomaterials Biostructures, 2010, 5, 1, 101-106. [all data]
Morteza-Semnani, Saeedi, et al., 2007
Morteza-Semnani, K.; Saeedi, M.; Akbarzadeh, M.,
Essential oil composition of Teucrium scordium L.,
Acta Pharm., 2007, 57, 4, 499-504, https://doi.org/10.2478/v10007-007-0040-6
. [all data]
Senatore, Napolitano, et al., 2004
Senatore, F.; Napolitano, F.; Mohamed, M.A.-H.; Harris, P.J.C.; MnKeni, P.N.S.; Henderson, J.,
Antibacterial activity of Tagetes minuta L. (Asteraceae) essential oil with different chemical composition,
Flavour Fragr. J., 2004, 19, 6, 574-578, https://doi.org/10.1002/ffj.1358
. [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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