1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
- IUPAC Standard InChIKey: RUMOYJJNUMEFDD-UHFFFAOYSA-N
- CAS Registry Number: 2111-75-3
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-; Perilla aldehyde; Perillal; Perillaldehyde; p-Mentha-1,8-dien-7-al; Dihydrocuminyl aldehyde; 4-Isopropenyl-1-cyclohexene-1-carboxaldehyde; para-Mentha-1,8-dien-7-al; Perillyl aldehyde; NSC 138642; 4-Isopropenyl-1-cyclohexene-1-carbaldehyde; 6611-91-2; 21090-66-4; α-Perilla aldehyde; p-Isopropenyl cyclohexencarbaldehyde; perrilaldehyde; Perrilla aldehyde; 4-isopropenylcyclohex-1-enecarbaldehyde
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz 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-5MS | HP-5 | RTX-1 | MDN-5 | HP-5 |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 80. | 60. | 60. | 50. | 60. |
| Tend (C) | 300. | 250. | 220. | 250. | 260. |
| Heat rate (K/min) | 4. | 10. | 2. | 3. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 10. | 20. | |||
| I | 1279.2 | 1263. | 1246. | 1272. | 1274. |
| Reference | Zeng, Zhao, et al., 2007 | Liu J.M., Nan P., et al., 2006 | Cozzani, Muselli, et al., 2005 | Dugo, Mondello, et al., 2005 | Javidnia, Miri, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Mega 5MS | SE-54 | SPB-1 | SPB-1 | SPB-1 |
| Column length (m) | 30. | 30. | 30. | 25. | 25. |
| Carrier gas | 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) | 40. | 60. | 35. | 35. | 35. |
| Tend (C) | 240. | 260. | 225. | 225. | 225. |
| Heat rate (K/min) | 3. | 2. | 4. | 4. | 4. |
| Initial hold (min) | 2. | 5. | 5. | 10. | 10. |
| Final hold (min) | 20. | ||||
| I | 1257. | 1268. | 1241. | 1245. | 1245. |
| Reference | Verzera, Trozzi, et al., 2005 | Alma, Nitz, et al., 2004 | Chisholm, Jell, et al., 2003 | Chisholm, Wilson, et al., 2003 | Chisholm, Wilson, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-1 | DB-5 | HP-5 | DB-5 | HP-5 |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | N2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 35. | 70. | 60. | 40. | 60. |
| Tend (C) | 225. | 230. | 220. | 265. | 280. |
| Heat rate (K/min) | 4. | 2. | 5. | 7. | 3. |
| Initial hold (min) | 10. | 2. | 10. | ||
| Final hold (min) | 20. | 5. | |||
| I | 1248. | 1271. | 1272. | 1290. | 1271. |
| Reference | Chisholm, Wilson, et al., 2003 | Choi, 2003 | Flamini, Luigi Cioni, et al., 2003 | Högnadóttir and Rouseff, 2003 | Ngassapa, Runyoro, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Mega 5MS | CP Sil 5 CB | HP-5 | HP-5 | DB-5 |
| Column length (m) | 30. | 25. | 30. | 30. | 30. |
| Carrier gas | He | N2 | He | He | N2 |
| 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) | 40. | 60. | 60. | 70. | 70. |
| Tend (C) | 240. | 280. | 380. | 230. | 230. |
| Heat rate (K/min) | 3. | 4. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 6. | |||
| Final hold (min) | |||||
| I | 1262. | 1238. | 1271. | 1270. | 1270. |
| Reference | Verzera, Trozzi, et al., 2003 | Pino, Marbot, et al., 2002 | Couladis, Tsortanidou, et al., 2001 | Song, Sawamura, et al., 2000 | Song, Sawamura, et al., 2000, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Mega 5MS | Mega 5MS | OV-1 | DB-5 | OV-101 |
| Column length (m) | 30. | 30. | 25. | 30. | 50. |
| Carrier gas | He | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.26 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.3 | 0.25 | |
| Tstart (C) | 40. | 40. | 50. | 50. | 80. |
| Tend (C) | 240. | 240. | 200. | 225. | 200. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 2. | 1. | ||
| Final hold (min) | 20. | 20. | |||
| I | 1257. | 1257. | 1242. | 1277. | 1252. |
| Reference | Verzera, la Rosa, et al., 2000 | Verzera, Trozzi, et al., 2000 | Bicchi, Rubiolo, et al., 1998 | Sagrero-Nieves, Bartley, et al., 1997 | Yang, Sugisawa, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 50. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 80. |
| Tend (C) | 200. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1253. |
| Reference | Yang, Sugisawa, et al., 1992 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D.,
Comparative analysis of volatile components from Clematis species growing in China,
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Liu J.M., Nan P., et al., 2006
Liu J.M.; Nan P.; Tsering Q.; Tsering T.; Bai Z.K.; Wang L.; Liu Z.J.; Zhong Y.,
Volatile constituents of the leaves and flowers of Salvia przewalskii Maxim. from Tibet,
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Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J.,
Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica,
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Dugo, Mondello, et al., 2005
Dugo, P.; Mondello, L.; Favoino, O.; Cicero, L.; Rodriguez Zenteno, N.A.; Dugo, G.,
Characterization of cold-pressed Mexican dancy tangerine oils,
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Javidnia, Miri, et al., 2005
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Chemical composition of Ferula persica Wild. essential oil from Iran,
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Verzera, Trozzi, et al., 2005
Verzera, A.; Trozzi, A.; Zappala, M.; Condurso, C.; Cotroneo, A.,
Essential Oil Composition of Citrus meyerii Y. Tan. and Citrus medica L. cv. Diamante and Their Lemon Hybrids,
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Alma, Nitz, et al., 2004
Alma, M.H.; Nitz, S.; Kollmannsberger, H.; Digrak, M.; Efe, F.T.; Yilmaz, N.,
Chemical composition and antimicrobial activity of the essential oils from the gum of Turkish Pistachio (Pistacia vera L.),
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Chisholm, Jell, et al., 2003
Chisholm, M.G.; Jell, J.A.; Cass, D.M., Jr.,
Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry,
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Chisholm, Wilson, et al., 2003
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M.,
Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle),
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Choi, 2003
Choi, H.-S.,
Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil,
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Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Differences in the fragrances of pollen, leaves, and floral parts of garland (Chrysanthemum coronarium) and composition of the essential oils from flowerheads and leaves,
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Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L.,
Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry,
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Ngassapa, Runyoro, et al., 2003
Ngassapa, O.; Runyoro, D.K.B.; Harvala, E.; Chinou, I.B.,
Composition and antimicrobial activity of essential oils of two populations of Tanzanian Lippia javanica (Burm. f.) Spreng. (Verbenaceae),
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Verzera, Trozzi, et al., 2003
Verzera, A.; Trozzi, A.; Gazea, F.; Cicciarelloi, G.; Cotroneo, A.,
Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil,
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Quert, R.; García, H.,
Study of essential oils of Eucalyptus resinifera Smith, E. tereticornis Smith and Corymbia maculata (Hook.) K.D. Hill L.A.S. Johnson, grown in Cuba,
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Couladis, Tsortanidou, et al., 2001
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Composition of the essential oils of Argyranthemum species growing in the Canary Islands,
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Song, Sawamura, et al., 2000
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Quantitative determination of characteric flavour of Citrus junos (yuzu) peel oil,
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Song, Sawamura, et al., 2000, 2
Song, H.S.; Sawamura, M.; Ito, T.; Ido, A.; Ukeda, H.,
Quantitative determination and characteristic flavour of daidai (Citrus aurantium L. var. cyathifera Y. Tanaka) peel oil,
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Verzera, la Rosa, et al., 2000
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Essential oil composition of different cultivars of bergamot grown in Sicily,
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Sagrero-Nieves, Bartley, et al., 1997
Sagrero-Nieves, L.; Bartley, J.P.; Griselda Espinosa, B.; Dominguez, X.A.; Julia Verde S.,
Essential oil composition of Aristolochia brevipes Benth.,
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Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N.,
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Notes
Go To: Top, Van Den Dool and Kratz 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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