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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Kovats' 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 |
|---|---|---|---|
| Active phase | SE-30 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.33 | 0.25 | |
| Tstart (C) | 60. | 40. | 40. |
| Tend (C) | 240. | 260. | 250. |
| Heat rate (K/min) | 4. | 2. | 2. |
| Initial hold (min) | 5. | 5. | |
| Final hold (min) | 20. | 20. | |
| I | 1132. | 1120. | 1122. |
| Reference | Juliani, Koroch, et al., 2002 | Senatore and de Feo, 1999 | de Feo, Porta, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Juliani, Koroch, et al., 2002
Juliani, H.R., Jr.; Koroch, A.R.; Juliani, H.R.; Trippi, V.S.; Zygadlo, J.A.,
Intraespecific variation in leafoils of Lippia junelliana (mold.) tronc,
Biochem. Syst. Ecol., 2002, 30, 2, 163-170, https://doi.org/10.1016/S0305-1978(01)00067-9
. [all data]
Senatore and de Feo, 1999
Senatore, F.; de Feo, V.,
Chemical composition of the essential oil from Tagetes mandonii Sch. Bip. (Asteraceae),
Flavour Fragr. J., 1999, 14, 1, 32-34, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<32::AID-FFJ772>3.0.CO;2-7
. [all data]
de Feo, Porta, et al., 1998
de Feo, V.; Porta, G.D.; Urrunaga Soria, E.; Urrunaga Soria, R.; Senatore, F.,
Composition of the essential oil of Tagetes filifolia Lag.,
Flavour Fragr. J., 1998, 13, 3, 145-147, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<145::AID-FFJ707>3.0.CO;2-Q
. [all data]
Notes
Go To: Top, Kovats' 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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