4-Isopropylcyclohexa-1,3-dienecarbaldehyde
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3
- IUPAC Standard InChIKey: MKVBITWQDIIUMF-UHFFFAOYSA-N
- CAS Registry Number: 1197-15-5
- 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: 1,3-Cyclohexadiene-1-carboxaldehyde, 4-(1-methylethyl)-; 1,3-Cyclohexadiene-1-carboxaldehyde, 4-isopropyl-; 1,3-p-Menthadien-7-al; α-Terpinen-7-al; p-Mentha-1,3-dien-7-al; Terpinen-7-al
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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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 | RTX-1 | HP-5 MS | HP-5 MS | HP-5 | DB-5 |
| Column length (m) | 60. | 30. | 50. | ||
| Carrier gas | Helium | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.32 | 0.32 | ||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Program | not specified | not specified | not specified | not specified | 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C |
| I | 1256. | 1281. | 1282. | 1283. | 1285. |
| Reference | Bendiabdellah, El Amine Dib, et al., 2012 | Payo, Colo, et al., 2011 | Payo, Colo, et al., 2011 | Riahi, Pourbasheer, et al., 2009 | Nivinsliene, Butkiene, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | SE-52 | SE-30 | CP Sil 5 CB | SE-54 |
| Column length (m) | 30. | 25. | 30. | |
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.39 | 0.32 | |
| Phase thickness (μm) | 0.15 | 0.3 | ||
| Program | 45C => 1C/min => 100C => 5C/min => 250C (10min) | not specified | not specified | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min) |
| I | 1285. | 1276. | 1256. | 1293. |
| Reference | Tognolini, Barocelli, et al., 2006 | Vinogradov, 2004 | Weyerstahl, Marschall, et al., 1999 | Blank, Fischer, et al., 1989 |
| 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.
Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A.,
Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria,
Chem. Centr. J., 2012, 6, 48, 1-22. [all data]
Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O.,
Variability of non-polar secondary metabolites in the Red Alga Portieria,
Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438
. [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]
Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B.,
Influence of urban environment on chemical composition of Tilia cordata essential oil,
Chemija, 2007, 18, 1, 44-49. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K.,
Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India,
Flavour Fragr. J., 1999, 14, 4, 225-229, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<225::AID-FFJ818>3.0.CO;2-1
. [all data]
Blank, Fischer, et al., 1989
Blank, I.; Fischer, K.-H.; Grosch, W.,
Intensive neutral odourants of linden honey,
Z. Lebensm. Unters. Forsch., 1989, 189, 5, 426-433, https://doi.org/10.1007/BF01028316
. [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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