1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
- IUPAC Standard InChIKey: MOQGCGNUWBPGTQ-UHFFFAOYSA-N
- CAS Registry Number: 432-25-7
- 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: β-Cyclocitral; 1-Formyl-2,6,6-trimethyl-1-cyclohexene; 2,6,6-trimethyl-cyclohexene-1-carboxaldehyde; 2,6,6-Trimethylcyclohex-1-enecarbaldehyde; 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde; 2,6,6-Trimethyl-1-cyclohexene-1-carboxaldehyde; 2,6,6-trimethylcyclohexene-1-carbaldehyde
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | CP Sil 8 CB | CP Sil 8 CB | HP-5 | DB-1 |
| Column length (m) | 25. | 30. | 30. | 30. | 60. |
| Carrier gas | He | H2 | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.15 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 50. | 60. | 30. |
| Tend (C) | 220. | 220. | 220. | 275. | 210. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 2. |
| Initial hold (min) | 3. | 2. | 2. | 4. | |
| Final hold (min) | |||||
| I | 1224. | 1219. | 1219. | 1222. | 1194. |
| Reference | Mevy, Bessiere, et al., 2006 | Tayoub, Schwob, et al., 2006 | Tayoub, Schwob, et al., 2006, 2 | Nickavar, Salehi-Sormagi, et al., 2002 | Takeoka, Flath, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | OV-101 | OV-101 |
| Column length (m) | 60. | 60. | 60. | 70. | 70. |
| Carrier gas | He | He | He | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.28 | 0.28 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 30. | 30. | 30. | 80. | 80. |
| Tend (C) | 210. | 210. | 210. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 4. | 4. | 4. | ||
| Final hold (min) | |||||
| I | 1196. | 1190. | 1194. | 1200. | 1200. |
| Reference | Takeoka, Flath, et al., 1990 | Takeoka, Flath, et al., 1990 | Takeoka, Flath, et al., 1990 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 |
| Comment | MSDC-RI | MSDC-RI | 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.
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]
Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessiere, J.-M.; Masotti, V.; Rabier, J.; Ruzzier, M.; Viano, J.,
Composition of volatile oils of Styrax (Styrax officinalis L.) leaves at different phenological stages,
Biochem. Syst. Ecol., 2006, 34, 9, 705-709, https://doi.org/10.1016/j.bse.2006.05.008
. [all data]
Tayoub, Schwob, et al., 2006, 2
Tayoub, G.; Schwob, I.; Bessière, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J.,
Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France,
Flavour Fragr. J., 2006, 21, 5, 809-812, https://doi.org/10.1002/ffj.1731
. [all data]
Nickavar, Salehi-Sormagi, et al., 2002
Nickavar, B.; Salehi-Sormagi, M.H.; Amin, Gh.; Daneshtalab, M.,
Steam volatiles of Vaccinium arctostaphylos,
Pharm. Biol., 2002, 40, 6, 448-449, https://doi.org/10.1076/phbi.40.6.448.8449
. [all data]
Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M.,
Volatile Constituents of Apricot (Prunus armeniaca),
J. Agric. Food Chem., 1990, 38, 2, 471-477, https://doi.org/10.1021/jf00092a031
. [all data]
Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.