1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-
- Formula: C10H16O
- Molecular weight: 152.2334
- 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
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- Other data available:
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Normal alkane RI, 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-20M | HP-20M | Carbowax | BP-20 | Carbowax-PEG |
Column length (m) | 50. | 50. | 60. | 30. | 60. |
Carrier gas | Helium | Helium | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 70. | 60. | 70. | 60. |
Tend (C) | 180. | 180. | 250. | 220. | 250. |
Heat rate (K/min) | 4. | 4. | 2. | 4. | 2. |
Initial hold (min) | 4. | 4. | 8. | 4. | 8. |
Final hold (min) | 15. | 5. | 15. | ||
I | 1585. | 1586. | 1590. | 1619. | 1590. |
Reference | Blazevic and Mastelic, 2008 | Blazevic and Mastelic, 2008 | Ferhat, Tigrine-Kordjani, et al., 2007 | Rawat, Gulati, et al., 2007 | Tigrine-Kordiani, Meklati, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | Innowax | CP-Wax 52CB | Carbowax 20M | HP-Innowax |
Column length (m) | 60. | 50. | 30. | 50. | 50. |
Carrier gas | N2 | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.32 | 0.25 | 0.2 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.2 | |
Tstart (C) | 70. | 60. | 40. | 90. | 70. |
Tend (C) | 220. | 250. | 220. | 220. | 190. |
Heat rate (K/min) | 3. | 2. | 4. | 3. | 5. |
Initial hold (min) | 1. | ||||
Final hold (min) | 60. | ||||
I | 1631. | 1600. | 1629. | 1623. | 1608. |
Reference | Awano, Ishizaki, et al., 2005 | Bendimerad and Bendiab, 2005 | Rohloff and Bones, 2005 | Priestap, van Baren, et al., 2003 | Velasco-Negueruela, Pérez-Alonso, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP Innowax FSP | Innowax | HP-Innowax | DB-Wax | HP-Innowax FSC |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 40. | 60. |
Tend (C) | 220. | 220. | 220. | 200. | 220. |
Heat rate (K/min) | 2. | 4. | |||
Initial hold (min) | 10. | 10. | 10. | 2. | 10. |
Final hold (min) | 10. | 10. | |||
I | 1638. | 1638. | 1638. | 1613. | 1638. |
Reference | Kaya, Baser, et al., 1999 | Kaya, Baser, et al., 1999, 2 | Kaya, Baser, et al., 1999, 3 | Umano, Nakahara, et al., 1999 | Tümen, Baser, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | PEG-20M | PEG-20M | Carbowax 20M |
Column length (m) | 60. | 60. | 50. | 50. | 50. |
Carrier gas | H2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.15 | 0.15 | ||
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 220. | 180. | 180. | 180. | 180. |
Heat rate (K/min) | 3. | 2. | 2. | 2. | 2. |
Initial hold (min) | 4. | 4. | 4. | 4. | |
Final hold (min) | |||||
I | 1601. | 1593. | 1582. | 1587. | 1594. |
Reference | Werkhoff, Güntert, et al., 1998 | Kawakami, Ganguly, et al., 1995 | Togari, Kobayashi, et al., 1995 | Togari, Kobayashi, et al., 1995 | Kawakami, Kobayashi, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | DB-Wax | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 50. | 60. | 40. | 150. | 150. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.4 | 0.64 | 0.64 |
Phase thickness (μm) | |||||
Tstart (C) | 60. | 50. | 50. | 50. | 50. |
Tend (C) | 180. | 230. | 170. | 170. | 170. |
Heat rate (K/min) | 2. | 4. | 4. | 1. | 1. |
Initial hold (min) | 4. | 10. | 30. | 30. | |
Final hold (min) | 10. | ||||
I | 1594. | 1614. | 1616. | 1600. | 1600. |
Reference | Kawakami and Kobayashi, 1991 | Binder, Benson, et al., 1990 | Kanasawud and Crouzet, 1990 | Buttery, Parker, et al., 1981 | Buttery and Kamm, 1980 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Blazevic and Mastelic, 2008
Blazevic, I.; Mastelic, J.,
Free and bounded volatiles of rocket (Eruca sativa Mill.),
Fravour Fragr. J., 2008, 23, 4, 278-285, https://doi.org/10.1002/ffj.1883
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Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F.,
Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device,
Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5
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Rawat, Gulati, et al., 2007
Rawat, R.; Gulati, A.; Babu, G.D.K.; Acharya, R.; Kaul, V.K.; Singh, B.,
Characterization of volatile components of Kangra orthodox black tea by gas chromatography-mass spectrometry,
Food Chem., 2007, 105, 1, 229-235, https://doi.org/10.1016/j.foodchem.2007.03.071
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Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F.,
Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria,
Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008
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Awano, Ishizaki, et al., 2005
Awano, K.; Ishizaki, S.; Takazawa, O.; Kitahara, T.,
Analysis of ambergris tincture,
Flavour Fragr. J., 2005, 20, 1, 18-21, https://doi.org/10.1002/ffj.1413
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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,
J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u
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Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M.,
Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication,
Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021
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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,
Phytochemistry, 2003, 63, 2, 221-225, https://doi.org/10.1016/S0031-9422(02)00751-3
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Velasco-Negueruela, Pérez-Alonso, et al., 2003
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Rutheopsis herbanica (Bolle) Hans. Kunk., gathered in Fuerteventura (Canary Islands),
J. Chromatogr. A, 2003, 984, 1, 159-162, https://doi.org/10.1016/S0021-9673(02)01742-9
. [all data]
Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Koca, F.,
Essential oils of Acinos troodi (Post) Leblebici subsp. vardaranus Leblebici and subsp. grandiflorus Hartvig Strid,
Flavour Fragr. J., 1999, 14, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<50::AID-FFJ783>3.0.CO;2-7
. [all data]
Kaya, Baser, et al., 1999, 2
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
. [all data]
Kaya, Baser, et al., 1999, 3
Kaya, A.; Baser, K.H.C.; Tümen, G.; Koca, F.,
The essential oil of Acinos suaveolens (Sm.) G. Don fil. Acinos arvensis (Lam.) Dandy and Acinos rotundifolius Pers. growing wild in Turkey,
Flavour Fragr. J., 1999, 14, 1, 60-64, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<60::AID-FFJ785>3.0.CO;2-0
. [all data]
Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger,
J. Agric. Food Chem., 1999, 47, 9, 3702-3705, https://doi.org/10.1021/jf990116i
. [all data]
Tümen, Baser, et al., 1998
Tümen, G.; Baser, K.H.C.; Demirci, B.; Ermin, N.,
The essential oils of Satureja coerulea Janka and Thymus aznavourii Velen.,
Flavour Fragr. J., 1998, 13, 1, 65-67, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<65::AID-FFJ695>3.0.CO;2-Q
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A.,
Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma,
J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037
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Togari, Kobayashi, et al., 1995
Togari, N.; Kobayashi, A.; Aishima, T.,
Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories,
Food Res. Int., 1995, 28, 5, 495-502, https://doi.org/10.1016/0963-9969(95)00029-1
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Kawakami, Kobayashi, et al., 1993
Kawakami, M.; Kobayashi, A.; Kator, K.,
Volatile constituents of Rooibos tea (Aspalathus linearis) as affected by extraction process,
J. Agric. Food Chem., 1993, 41, 4, 633-636, https://doi.org/10.1021/jf00028a023
. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016
. [all data]
Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A.,
Volatile Components of Safflower,
J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020
. [all data]
Kanasawud and Crouzet, 1990
Kanasawud, P.; Crouzet, J.C.,
Mechanism of formation of volatile compounds by thermal degradation of carotenoids in aqueous medium. 1. β-Carotene degradation,
J. Agric. Food Chem., 1990, 38, 1, 237-243, https://doi.org/10.1021/jf00091a052
. [all data]
Buttery, Parker, et al., 1981
Buttery, R.G.; Parker, F.D.; Teranishi, R.; Mon, T.R.; Ling, L.C.,
Volatile components of alfalfa leaf-cutter bee cells,
J. Agric. Food Chem., 1981, 29, 5, 955-958, https://doi.org/10.1021/jf00107a017
. [all data]
Buttery and Kamm, 1980
Buttery, R.G.; Kamm, J.A.,
Volatile components of alfalfa: possible insect host plant attractants,
J. Agric. Food Chem., 1980, 28, 5, 978-981, https://doi.org/10.1021/jf60231a014
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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