3,5-Heptadien-2-one, 6-methyl-, (E)-
- 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/b6-4+
- IUPAC Standard InChIKey: KSKXSFZGARKWOW-GQCTYLIASA-N
- CAS Registry Number: 16647-04-4
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: (3E)-6-Methyl-3,5-heptadien-2-one; 6-methyl-(E)-3,5-heptadien-2-one; (E)-6-methyl-3,5-heptadien-2-one; (E)-6-Methyl-3,5-heptadienone; (E)-6-methylhepta-3,5-dien-2-one; 6-Methyl-trans-3,5-heptadien-2-one; 6-Methyl-(E,E)-3,5-heptadien-2-one; 6-methyl-(E,Z)-3,5-heptadien-2-one
- Information on this page:
- Other data available:
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Normal alkane 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 | HP-5 | HP-5 | DB-1 |
| Column length (m) | 60. | 30. | 60. |
| Carrier gas | He | Helium | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 30. | 40. | 30. |
| Tend (C) | 260. | 300. | 200. |
| Heat rate (K/min) | 2. | 4. | 4. |
| Initial hold (min) | 2. | 25. | |
| Final hold (min) | 28. | 5. | 30. |
| I | 1107.4 | 1097. | 1074. |
| Reference | Leffingwell and Alford, 2005 | Utsunomia, Kawata, et al., 2005 | Buttery, Takeoka, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | 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.
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M.,
Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc.,
J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609
. [all data]
Buttery, Takeoka, et al., 1990
Buttery, R.G.; Takeoka, G.; Teranishi, R.; Ling, L.C.,
Tomato aroma components: identification of glycoside hydrolysis volatiles,
J. Agric. Food Chem., 1990, 38, 11, 2050-2053, https://doi.org/10.1021/jf00101a010
. [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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