Cyclohexanone, 2,2,6-trimethyl-
- Formula: C9H16O
- Molecular weight: 140.2227
- IUPAC Standard InChI: InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
- IUPAC Standard InChIKey: ZPVOLGVTNLDBFI-UHFFFAOYSA-N
- CAS Registry Number: 2408-37-9
- 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: 1,1,3-Trimethyl-2-cyclohexanone; 2,2,6-Trimethylcyclohexan-1-one; 2,2,6-Trimethylcyclohexanone; 2,6,6-Trimethylcyclohexanone
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- 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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-1 | HP-5 | HP-1 | Optima-1 |
| Column length (m) | 30. | 50. | 60. | 50. | 25. |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.32 | 0.2 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 50. | 60. | 30. | 60. | 50. |
| Tend (C) | 220. | 250. | 260. | 220. | 250. |
| Heat rate (K/min) | 4. | 2. | 2. | 2. | 3. |
| Initial hold (min) | 2. | 2. | 3. | ||
| Final hold (min) | 2. | 60. | 28. | 40. | |
| I | 1011. | 1017. | 1035.9 | 1011. | 1019. |
| Reference | Xu, Tang, et al., 2010 | Bendimerad and Bendiab, 2005 | Leffingwell and Alford, 2005 | Valette, Fernandez, et al., 2003 | Brun, Bessière, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PONA | DB-5 MS | DB-1 | DB-1 | DB-1 |
| Column length (m) | 50. | 30. | 50. | 50. | 60. |
| Carrier gas | He | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | ||||
| Tstart (C) | 40. | 50. | 0. | 50. | 50. |
| Tend (C) | 250. | 250. | 250. | 250. | 250. |
| Heat rate (K/min) | 6. | 4. | 3. | 3. | 4. |
| Initial hold (min) | 5. | 0.1 | |||
| Final hold (min) | 5. | ||||
| I | 1029. | 1036. | 1012. | 1007. | 1012. |
| Reference | Ramalho, de Freitas, et al., 1999 | Gomez and Ledbetter, 1994 | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 | Flath, Mon, et al., 1983 |
| Comment | MSDC-RI | 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.
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u
. [all data]
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]
Valette, Fernandez, et al., 2003
Valette, L.; Fernandez, X.; Poulain, S.; Loiseau, A.-M.; Lizzani-Cuvelier, L.; Levieil, R.; Restier, L.,
Volatile constituents from Romanesco cauliflower,
Food Chem., 2003, 80, 3, 353-358, https://doi.org/10.1016/S0308-8146(02)00272-8
. [all data]
Brun, Bessière, et al., 2001
Brun, G.; Bessière, J.-M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile components of Catharanthus roseus (L.) G. Don (Apocynaceae),
Flavour Fragr. J., 2001, 16, 2, 116-119, https://doi.org/10.1002/ffj.958
. [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]
Gomez and Ledbetter, 1994
Gomez, E.; Ledbetter, C.A.,
Comparative study of the aromatic profiles of two different plum species: Prunus salicina Lindl and Prunus simonii L.,
J. Sci. Food Agric., 1994, 65, 1, 111-115, https://doi.org/10.1002/jsfa.2740650116
. [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]
Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W.,
Volatile components of Acacia sp. blossoms,
J. Agric. Food Chem., 1983, 31, 6, 1167-1170, https://doi.org/10.1021/jf00120a008
. [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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