6-Methyl-3,5-heptadiene-2-one
- Formula: C8H12O
- Molecular weight: 124.1803
- IUPAC Standard InChI: InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3
- IUPAC Standard InChIKey: KSKXSFZGARKWOW-UHFFFAOYSA-N
- CAS Registry Number: 1604-28-0
- 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: 6-Methyl-3,5-heptadien-2-one; 6-Methyl-3,5-heptadienone-2; 3,5-Heptadien-2-one, 6-methyl-; 2-methyl-2,4-heptadien-6-one; 6-Methylhepta-3,5-dien-2-one; 6-Methyl-hepta-3,5-diene-2-one
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Kovats' 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 |
|---|---|---|
| Active phase | HP-5MS | DB-5 |
| Column length (m) | 60. | 25. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.15 |
| Tstart (C) | 40. | 60. |
| Tend (C) | 250. | 220. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | 1. | 3. |
| Final hold (min) | 20. | |
| I | 1110. | 1088. |
| Reference | Jalali-Heravi, Zekavat, et al., 2006 | Mevy, Bessiere, et al., 2006 |
| Comment | 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.
Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H.,
Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques,
J. Chromatogr. A, 2006, 1114, 1, 154-163, https://doi.org/10.1016/j.chroma.2006.02.034
. [all data]
Mevy, Bessiere, et al., 2006
Mevy, J.-P.; Bessiere, J.-M.; Greff, S.; Zombre, G.; Viano, J.,
Composition of the volatile oil from the leaves of Ximenia americana L.,
Biochem. Syst. Ecol., 2006, 34, 7, 549-553, https://doi.org/10.1016/j.bse.2006.01.007
. [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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