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:
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 | HP-5 MS | HP-5 | HP-5 | HP-5 | HP-5 MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 50. | 60. | 70. |
| Tend (C) | 250. | 240. | 300. | 240. | 290. |
| Heat rate (K/min) | 5. | 3. | 50. | 3. | 5. |
| Initial hold (min) | 0.5 | 2. | 5. | 2. | |
| Final hold (min) | 0.5 | 5. | |||
| I | 1217. | 1218. | 1221. | 1217. | 1226. |
| Reference | Fanaro, Duarte, et al., 2012 | Kahriman, Tosun, et al., 2011 | Bi Kouame, Bedi, et al., 2010 | Kahriman, Tosun, et al., 2010 | Lazarevic, Radulovic, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5 | HP-5 MS | RTX-1 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | Helium | Hydrogen | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 70. | 70. | 70. | 60. | 70. |
| Tend (C) | 290. | 290. | 290. | 230. | 240. |
| Heat rate (K/min) | 5. | 5. | 5. | 2. | 5. |
| Initial hold (min) | |||||
| Final hold (min) | 10. | 10. | 35. | ||
| I | 1226. | 1227. | 1223. | 1197. | 1225. |
| Reference | Radulovic, Blagojevic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Radulovic, Dordevic, et al., 2010, 2 | Paolini, Tomi, et al., 2008 | Asekun, Olusegun, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5 | CP-Sil 5 CB | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | He | Helium | Hydrogen | Hydrogen | Hydrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 70. | 70. |
| Tend (C) | 250. | 260. | 230. | 280. | 280. |
| Heat rate (K/min) | 2. | 5. | 3. | 4. | 4. |
| Initial hold (min) | 8. | 2. | 4. | 4. | |
| Final hold (min) | 15. | 13. | |||
| I | 1208. | 1222. | 1182. | 1205. | 1206. |
| Reference | Ferhat, Tigrine-Kordjani, et al., 2007 | Kucuk, Gulec, et al., 2006 | Olawore, Usman, et al., 2006 | Pino, Marbot, et al., 2006 | Pino, Marbot, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 MS | HP-5MS | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Hydrogen | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 60. | 60. | 60. | 60. |
| Tend (C) | 280. | 250. | 280. | 260. | 260. |
| Heat rate (K/min) | 4. | 2. | 3. | 5. | 5. |
| Initial hold (min) | 4. | 8. | 2. | 2. | |
| Final hold (min) | 15. | 14. | 14. | ||
| I | 1208. | 1208. | 1200. | 1218. | 1221. |
| Reference | Pino, Marbot, et al., 2006 | Tigrine-Kordiani, Meklati, et al., 2006 | Tzakou, Said, et al., 2006 | Yayli, Gülec, et al., 2006 | Yayli, Gülec, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | HP-5 | CP Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 50. | 60. | 25. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.15 | 0.25 | 0.25 |
| Tstart (C) | 60. | 30. | 50. | 40. | 40. |
| Tend (C) | 250. | 260. | 230. | 220. | 220. |
| Heat rate (K/min) | 2. | 2. | 3. | 4. | 4. |
| Initial hold (min) | 2. | 1. | 1. | ||
| Final hold (min) | 60. | 28. | |||
| I | 1203. | 1223.9 | 1197. | 1218. | 1218. |
| Reference | Bendimerad and Bendiab, 2005 | Leffingwell and Alford, 2005 | Olawore, Ogunwande, et al., 2005 | Rohloff and Bones, 2005 | Rohloff and Bones, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | HP-1 | Optima-1 | HP-5 |
| Column length (m) | 25. | 30. | 50. | 25. | 30. |
| Carrier gas | Nitrogen | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.2 | 0.20 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 60. | 75. | 60. | 50. | 60. |
| Tend (C) | 240. | 220. | 220. | 250. | 220. |
| Heat rate (K/min) | 3. | 3. | 2. | 3. | 5. |
| Initial hold (min) | 4. | 3. | 10. | ||
| Final hold (min) | 40. | ||||
| I | 1218. | 1218. | 1194. | 1196. | 1223. |
| Reference | JAvidnia, Mojab, et al., 2004 | Priestap, van Baren, et al., 2003 | Valette, Fernandez, et al., 2003 | Brun, Bessière, et al., 2001 | Campeol, Flamini, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Optima-1 | RSL-200 | HP-1 | SPB-Sulfur | SPB-Sulfur |
| Column length (m) | 25. | 60. | 25. | 30. | 30. |
| Carrier gas | He | H2 | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.17 | 4. | 4. |
| Tstart (C) | 50. | 40. | 40. | 45. | 45. |
| Tend (C) | 250. | 250. | 260. | 240. | 240. |
| Heat rate (K/min) | 3. | 6. | 3. | 5. | 5. |
| Initial hold (min) | 3. | 5. | 13. | 13. | |
| Final hold (min) | 5. | 5. | |||
| I | 1197. | 1201. | 1187. | 1225. | 1225. |
| Reference | de Beck, Bessière, et al., 2000 | Jirovetz, Puschmann, et al., 2000 | Lopes, Koketsu, et al., 1999 | Mariaca, Berger, et al., 1997 | Mariaca, Berger, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 MS | DB-1 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 30. | 60. | 60. | 60. | 50. |
| Carrier gas | Helium | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | |||||
| Tstart (C) | 50. | 30. | 50. | 30. | 0. |
| Tend (C) | 250. | 200. | 230. | 200. | 250. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 3. |
| Initial hold (min) | 25. | 25. | |||
| Final hold (min) | 20. | 10. | 5. | ||
| I | 1219. | 1194. | 1194. | 1194. | 1193. |
| Reference | Gomez and Ledbetter, 1994 | Hansen, Buttery, et al., 1992 | Binder, Benson, et al., 1990 | Buttery, Teranishi, et al., 1990 | Habu, Flath, et al., 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | DB-1 |
| Column length (m) | 50. | 60. |
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 50. |
| Tend (C) | 250. | 250. |
| Heat rate (K/min) | 3. | 4. |
| Initial hold (min) | 0.1 | |
| Final hold (min) | 5. | |
| I | 1194. | 1194. |
| Reference | Habu, Flath, et al., 1985 | Flath, Mon, et al., 1983 |
| Comment | 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.
Fanaro, Duarte, et al., 2012
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Kahriman, Tosun, et al., 2011
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Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
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Bi Kouame, F.P.; Bedi, G.; Koffi, A.M.; Chalchat, J.C.; Guessan, T.Y.N.,
Volatile constituents from leaves of Morinda morindoides (Rubiaceae): a medicinal plant from the Ivory Coast,
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Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation,
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Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia,
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Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
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Detailed analysis of the essential oil from Cistus albidus L. by combination of GC/RI, GC/MS and 13C-NMR spectroscopy,
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The volatile constituents of the leaves and flowers of Kigelia africana Benth.,
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Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria,
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Tzakou, Said, et al., 2006
Tzakou, O.; Said, A.; Farag, A.; Rashed, K.,
Volatile constituents of Ailanthus excelsa Roxb.,
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Yayli, Gülec, et al., 2006
Yayli, N.; Gülec, C.; Ücüncü, O.; Yasar, A.; Ülker, S.; Coskuncelebi, K.; Terzioglu, S.,
Composition and Antimicrobial Activities of Volatile Components of Minuartia meyeri,
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Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
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Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
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Olawore, Ogunwande, et al., 2005
Olawore, N.O.; Ogunwande, I.A.; Ekundayo, O.; Adeleke, K.A.,
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Rohloff and Bones, 2005
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Priestap, van Baren, et al., 2003
Priestap, H.A.; van Baren, C.M.; Lira, P.D.L.; Coussio, J.D.; Bandoni, A.L.,
Volatile constituents of Aristolochia argentina,
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Valette, Fernandez, et al., 2003
Valette, L.; Fernandez, X.; Poulain, S.; Loiseau, A.-M.; Lizzani-Cuvelier, L.; Levieil, R.; Restier, L.,
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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),
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Campeol, Flamini, et al., 2001
Campeol, E.; Flamini, G.; Chericoni, S.; Catalano, S.; Cremonini, R.,
Volatile compounds from three cultivars of Olea europaea from Italy,
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de Beck, Bessière, et al., 2000
de Beck, P.O.; Bessière, J.M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile constituents from leaves and wood of Leea guineensis G. Don (Leeaceae) from Cameroon,
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Jirovetz, Puschmann, et al., 2000
Jirovetz, L.; Puschmann, C.; Stojanova, A.; Metodiev, S.; Buchbauer, G.,
Analysis of the essential oil volatiles of Douglas fir (Pseudotsuga menziesii) from Bulgaria,
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Lopes, Koketsu, et al., 1999
Lopes, D.; Koketsu, M.; Carauta, J.P.P.; de Oliveira, R.R.; Kaplan, M.A.C.,
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Gomez and Ledbetter, 1994
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Comparative study of the aromatic profiles of two different plum species: Prunus salicina Lindl and Prunus simonii L.,
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Hansen, Buttery, et al., 1992
Hansen, M.; Buttery, R.G.; Stern, D.J.; Cantwell, M.I.; Ling, L.C.,
Broccoli storage under low-oxygen atmosphere: Identification of higher boiling volatiles,
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Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A.,
Volatile Components of Safflower,
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. [all data]
Buttery, Teranishi, et al., 1990
Buttery, R.G.; Teranishi, R.; Ling, L.C.; Turnbaugh, J.G.,
Quantitative and sensory studies on tomato paste volatiles,
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. [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,
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. [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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