2-Cyclohexen-1-one, 2,6,6-trimethyl-
- Formula: C9H14O
- Molecular weight: 138.2069
- IUPAC Standard InChI: InChI=1S/C9H14O/c1-7-5-4-6-9(2,3)8(7)10/h5H,4,6H2,1-3H3
- IUPAC Standard InChIKey: NAXZOZQQIIMORY-UHFFFAOYSA-N
- CAS Registry Number: 20013-73-4
- 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. - Other names: 2,6,6-Trimethyl-2-cyclohexenone; 2,6,6-trimethylcyclohex-2-en-1-one; 2,6,6-Trimethylcyclohex-2-enone; 2,6,6-trimethyl-2-cyclohexen-1-one; 5-Cyclohexen-1-one, 2,2,6-trimethyl
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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 |
|---|---|---|---|---|
| Active phase | HP-5 | PONA | DB-1 | DB-1 |
| Column length (m) | 60. | 50. | 50. | 50. |
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.2 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.5 | ||
| Tstart (C) | 30. | 40. | 0. | 50. |
| Tend (C) | 260. | 250. | 250. | 250. |
| Heat rate (K/min) | 2. | 6. | 3. | 3. |
| Initial hold (min) | 2. | 5. | ||
| Final hold (min) | 28. | |||
| I | 1057.1 | 1049. | 1036. | 1032. |
| Reference | Leffingwell and Alford, 2005 | Ramalho, de Freitas, et al., 1999 | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 |
| Comment | MSDC-RI | 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]
Ramalho, de Freitas, et al., 1999
Ramalho, P.S.; de Freitas, V.A.P.; Macedo, A.; Silva, G.; Silva, A.M.S.,
Volatile components of Cistus ladanifer leaves,
Flavour Fragr. J., 1999, 14, 5, 300-302, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<300::AID-FFJ830>3.0.CO;2-X
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [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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