1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-
- Formula: C10H14O
- Molecular weight: 150.2176
- 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:
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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | HP-5 | DB-5 | SLB-5 MS |
Column length (m) | 30. | 60. | 10. | ||
Carrier gas | Nitrogen | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.10 | ||
Phase thickness (μm) | 0.25 | 1.00 | 0.10 | ||
Program | not specified | not specified | 35 0C (10 min) 3 0C/min -> 205 0C 10 0C/min -> 225 0C | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | not specified |
I | 1295. | 1303. | 1272. | 1293. | 1278. |
Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Laribi, Kouki, et al., 2011 | Miyazaki, Plotto, et al., 2011 | Scandinaro, Tranchida, 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 | 5 % Phenyl methyl siloxane | HP-5 | SLB-5 MS | HP-5 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 1.0 | 0.25 | 0.25 | 0.25 | |
Program | 120 0C 2 0C/min -> 240 0C 10 0C/min -> 270 0C (2 min) | 50 0C (2 min) 10 0C/min -> 150 0C 15 0C/min -> 300 0C (10 min) | not specified | not specified | 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) |
I | 1309. | 1270. | 1272. | 1278. | 1277. |
Reference | Dharmawan, Kasapis, et al., 2009 | Huang, Qin, et al., 2009 | Riahi, Pourbasheer, et al., 2009 | Lo Presti, Sciarrone, et al., 2008 | Qiao, Xie, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | CP Sil 8 CB | HP-5 | SE-30 |
Column length (m) | 30. | 30. | 50. | 30. | |
Carrier gas | Helium | Hydrogen | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | not specified |
I | 1290. | 1271. | 1271. | 1303. | 1252. |
Reference | Qiao, Xie, et al., 2008 | Pontes, de Olivera, et al., 2007 | Judpentienë and Mockutë, 2004 | Sotomayor, Martínez, et al., 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | OV-101 | BP-1 | DB-5 | CP Sil 5 CB |
Column length (m) | 30. | 50. | 50. | 30. | |
Carrier gas | He | N2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | 60C (4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | not specified | not specified | not specified | not specified |
I | 1291. | 1252. | 1247. | 1271. | 1248. |
Reference | Jordán, Martínez, et al., 2003 | Yang, 2001 | Muselli, Bighelli, et al., 2000 | Isidorov, Zenkevich, et al., 1997 | Weyerstahl, Marschall, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed |
---|---|---|
Active phase | Polydimethyl siloxanes | OV-101 |
Column length (m) | 2.5 | |
Carrier gas | N2 | |
Substrate | Chromosorb G 60-80mesh DMCS | |
Column diameter (mm) | ||
Phase thickness (μm) | ||
Program | not specified | not specified |
I | 1252. | 1253. |
Reference | Zenkevich, 1997 | Swigar and Silverstein, 1981 |
Comment | 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.
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]
Laribi, Kouki, et al., 2011
Laribi, B.; Kouki, K.; Sahli, A.; Mougou, A.; Marzouk, B.,
Essential oil fatty acids composition of a Tunisian caraway (Carum carvi L.) seed ecotype cultivated under water deficit,
Adv. Environ. Biol., 2011, 1-15, retrieved from http://www.thefreelibrary.com//print/PrintArticle.aspx?id=253057768. [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]
Scandinaro, Tranchida, et al., 2010
Scandinaro, M.; Tranchida, P.Q.; Costa, R.; Dugo, P.; Mondello, L.,
Rapid Quality Control of Flavours and Fragrances using Fast GC-MS and Multi-MS Library Search Procedures,
LCGC Europe, 2010, 23, 9, 456-464. [all data]
Dharmawan, Kasapis, et al., 2009
Dharmawan, J.; Kasapis, S.; Sriramula, P.; Lear, M.J.; Curran, P.,
Evaluation of aroma-active compounds in Pontianak orange peel oil (Citrus nobilis Lour. var. microcarpa Hassk.) by gas chromatography - olfactometry, aroma reconstitution, and omission test,
J. Agric. Food Chem., 2009, 57, 1, 239-244, https://doi.org/10.1021/jf801070r
. [all data]
Huang, Qin, et al., 2009
Huang, B.; Qin, L.; Chu, Q.; Zhang, Q.; Gao, L.; Zheng, H.,
Comparison of headspace SPME with hydrodistillation and SFE for analysis of the volatile components of the roots of Valeriana officinalis var. latifolia,
Chromatographia, 2009, 69, 5/6, 489-496, https://doi.org/10.1365/s10337-008-0921-y
. [all data]
Riahi, Pourbasheer, et al., 2009
Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P.,
Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine,
J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097
. [all data]
Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L.,
Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil,
Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878
. [all data]
Qiao, Xie, et al., 2008
Qiao, Y.; Xie, B.J.; Zhang, Y.; Zhang, Y.; FAn, G.; Yao, X.L.; Pan, S.Y.,
Characterization of aroma active compounds in fruit juice and peel oil of Junchen sweet orange fruit (Citrus sinensis (L.) Osbeck) by GC-MS and GC-O,
Molecules, 2008, 13, 6, 1333-1344, https://doi.org/10.3390/molecules13061333
. [all data]
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius,
Chemija, 2004, 15, 4, 64-68. [all data]
Sotomayor, Martínez, et al., 2004
Sotomayor, J.A.; Martínez, R.M.; García, A.J.; Jordán, M.J.,
Thymus zygis Subsp. Gracilis: watering level effect on phytomass production and essential oil quality,
J. Agric. Food Chem., 2004, 52, 17, 5418-5424, https://doi.org/10.1021/jf0496245
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Jordán, Martínez, et al., 2003
Jordán, M.J.; Martínez, R.M.; Cases, M.A.; Sotomayor. J.A.,
Watering level effect on Thymus hyemalis lange essential oil yield and composition,
J. Agric. Food Chem., 2003, 51, 18, 5420-5427, https://doi.org/10.1021/jf034335m
. [all data]
Yang, 2001
Yang, R.,
Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry,
Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]
Muselli, Bighelli, et al., 2000
Muselli, A.; Bighelli, A.; Hoi, T.M.; Thao, N.T.P.; Thai, T.H.; Casanova, J.,
Dihydroperillaldehydes from Enhydra fluctuans Lour. essential oil,
Flavour Fragr. J., 2000, 15, 5, 299-302, https://doi.org/10.1002/1099-1026(200009/10)15:5<299::AID-FFJ911>3.0.CO;2-I
. [all data]
Isidorov, Zenkevich, et al., 1997
Isidorov, V.; Zenkevich, I.; Sacharevich, T.,
Calculation of Gas Chromatographic Retention Indices for Monoterpenes and Terpenoids from Their Physico-Chemical Constants,
Chem. Anal. (Warsaw), 1997, 42, 627-634. [all data]
Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A.,
Constituents of the essential oil of Achillea eriophora DC,
Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E
. [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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