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, non-polar column, custom temperature program
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 | TR-5 MS | TR-5 MS | SLB-5 MS | SLB-5 MS | Polydimethyl siloxane with 5 % Ph groups |
Column length (m) | 15. | 15. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) | 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min) | not specified | not specified | not specified |
I | 1209. | 1223. | 1217. | 1228. | 1220. |
Reference | Kurashov, Mitrukova, et al., 2014 | Kurashov, Krylova, et al., 2013 | Mondello, 2012 | Mondello, 2012 | Robinson, Adams, et al., 2012 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Polydimethyl siloxane with 5 % Ph groups | Siloxane, 5 % Ph | HP-5 | DB-5 | Polydimethyl siloxane, 5 % phenyl |
Column length (m) | 30. | 60. | |||
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | |||
Phase thickness (μm) | 0.25 | 1.00 | |||
Program | not specified | not specified | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | not specified |
I | 1231. | 1233. | 1217. | 1234. | 1233. |
Reference | Robinson, Adams, et al., 2012 | VOC BinBase, 2012 | Kahriman, Tosun, et al., 2011 | Miyazaki, Plotto, et al., 2011 | Skogerson, Wohlgemuth, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | HP-5 | HP-1 | HP-5 |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.2 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
Program | not specified | 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) | not specified | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) | 40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min) |
I | 1217. | 1223. | 1218. | 1189. | 1218. |
Reference | Kahriman, Tosun, et al., 2010 | Zhao, Li, et al., 2008 | Zhao, Li, et al., 2008 | Barra, Baldovini, et al., 2007 | Dou, Li, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | HP-5 MS | HP-5 | SE-30 |
Column length (m) | 30. | 30. | |||
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | |||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | not specified | not specified | 40 0C (3 min) 6 0C/min -> 150 0C (1 min) 10 0C/min -> 250 0C (10 min) | not specified | not specified |
I | 1215. | 1218. | 1224. | 1210. | 1200. |
Reference | Liolios, Laouer, et al., 2007 | Kucuk, Gulec, et al., 2006 | Xian, Chen, et al., 2006 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|
Active phase | SF-96 | SPB-Sulfur | Polydimethyl siloxanes | OV-101 |
Column length (m) | 40. | 30. | 2.5 | |
Carrier gas | He | N2 | ||
Substrate | Chromosorb G 60-80mesh DMCS | |||
Column diameter (mm) | 0.28 | 0.32 | ||
Phase thickness (μm) | 4. | |||
Program | 75C => 3C/min => 190C(25min) => 3C/min => 210C | not specified | not specified | not specified |
I | 1201. | 1219. | 1200. | 1200. |
Reference | Kawasaki, Matsui, et al., 1998 | Mariaca, Berger, et al., 1997 | Zenkevich, 1997 | Swigar and Silverstein, 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]
Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G.,
Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation,
Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [all data]
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N.,
Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]
Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Kahriman, Tosun, et al., 2010
Kahriman, N.; Tosun, G.; Genc, H.; Yayli, N.,
Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation,
Turk. J. Chem., 2010, 34, 969-976. [all data]
Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G.,
EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0
. [all data]
Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L.,
Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE),
Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027
. [all data]
Dou, Li, et al., 2007
Dou, H.-L.; Li, C.-M.; Gu, H.-F.; Hao, J.-F.,
Comparative analysis on aromatic components of green tea and fresh green tea beverage using HS-SPME/GC-MS/GC-olfactometry/RI methods,
Journal of Tea Science, 2007, 27, 1, 51-60. [all data]
Liolios, Laouer, et al., 2007
Liolios, C.; Laouer, H.; Boulaacheb, N.; Gortzi, O.; Chinou, I.,
Chemical Composition and Antimicrobial Activity of the Essential Oil of Algherian Phlomis bovei De Noe subsp. bovei,
Molecules, 2007, 12, 4, 772-781, https://doi.org/10.3390/12040772
. [all data]
Kucuk, Gulec, et al., 2006
Kucuk, M.; Gulec, C.; Yasar, A.; Ucuncu, O.; Yayh, N.; Coskuncelebi, K.; Terzioglu, S.; Yayh, N.,
Chemical composition and antimicrobial activities of the essential oils of Teucrium chamaedrys subsp. chamaedrys, T. orientale var. puberulens, and T. chamaedrys subsp. lydium,
Pharm. Biol., 2006, 44, 8, 592-599, https://doi.org/10.1080/13880200600896868
. [all data]
Xian, Chen, et al., 2006
Xian, Q.-M.; Chen, H.-D.; Zou, H.-H.,
Allelopathic activity of volatile substance from submerged macrophytes on Microcystin aeruginosa,
Acta Ecologica Sinica, 2006, 26, 11, 3549-3554, https://doi.org/10.1016/S1872-2032(06)60054-1
. [all data]
Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S.,
Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments,
J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Kawasaki, Matsui, et al., 1998
Kawasaki, W.; Matsui, K.; Akakabe, Y.; Itai, N.; Kajiwara, T.,
Long-chain aldehyde-forming activity in tobacco leaves,
Phytochemistry, 1998, 49, 6, 1565-1568, https://doi.org/10.1016/S0031-9422(98)00236-2
. [all data]
Mariaca, Berger, et al., 1997
Mariaca, R.G.; Berger, T.F.H.; Gauch, R.; Imhof, M.I.; Jeangros, B.; Bosset, J.O.,
Occurrence of volatile mono- and sesquiterpenoids in highland and lowland plant species as possible precursors for flavor compounds in milk and dairy products,
J. Agric. Food Chem., 1997, 45, 11, 4423-4434, https://doi.org/10.1021/jf970216t
. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M.,
Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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