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
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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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 | Packed |
|---|---|---|---|---|---|
| Active phase | ZB-5 | ZB-5 | HP-5 | CP Sil 5 CB | OV-101 |
| Column length (m) | 30. | 30. | 30. | 25. | 2.5 |
| Carrier gas | Nitrogen | Nitrogen | He | He | N2 |
| Substrate | Chromosorb G 60-80mesh DMCS | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.39 | |
| Program | not specified | not specified | 60C(5min) => 1C/min => 140C => 10C/min => 270C(5min) | not specified | not specified |
| I | 1149. | 1149. | 1149. | 1135. | 1125. |
| Reference | Vazques, Aimar, et al., 2011 | Vazquez, Demmel, et al., 2011 | Singh, Singh, et al., 2003 | Weyerstahl, Marschall, et al., 1998 | Swigar and Silverstein, 1981 |
| Comment | MSDC-RI | 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]
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]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M.,
Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [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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