1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3
- IUPAC Standard InChIKey: AEVLWICMAHGAMS-UHFFFAOYSA-N
- CAS Registry Number: 21391-98-0
- 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: Phellandral; 4-Isopropyl-1-cyclohexene-1-carbaldehyde; 4-[1-Methylethyl]-1-cyclohexene-1-carboxaldehyde; p-Menth-1-en-7-al; Phellandranal; 4-isopropylcyclohexenecarbaldehyde
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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 | BP-1 | BP-1 | RTX-1 | HP-5 | HP-5 |
| Column length (m) | 50. | 50. | 60. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 220. | 220. | 220. | 260. | 280. |
| Heat rate (K/min) | 2. | 2. | 2. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 20. | 20. | 20. | ||
| I | 1249. | 1252. | 1249. | 1273. | 1276. |
| Reference | Bousmaha, Boti, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Cozzani, Muselli, et al., 2005 | Javidnia, Miri, et al., 2004 | Tsiri, Kretsi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5 | CP Sil 5 CB |
| Column length (m) | 30. | 25. |
| Carrier gas | He | N2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. |
| Tend (C) | 280. | 280. |
| Heat rate (K/min) | 3. | 4. |
| Initial hold (min) | 6. | |
| Final hold (min) | ||
| I | 1276. | 1249. |
| Reference | Tsiri, Kretsi, et al., 2003 | Pino, Marbot, et al., 2002 |
| Comment | MSDC-RI | 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.
Bousmaha, Boti, et al., 2006
Bousmaha, L.; Boti, J.B.; Bekkara, F.A.; Castola, V.; Casanova, J.,
Infraspecific chemical variability of the essential oil of Lavandula dentata L. from Algeria,
Flavour Fragr. J., 2006, 21, 2, 368-372, https://doi.org/10.1002/ffj.1659
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
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,
Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463
. [all data]
Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Jafari, A.; Rezai, H.,
Analysis of the volatile constituents of Nepeta macrosiphon Boiss. grown in Iran,
Flavour Fragr. J., 2004, 19, 2, 156-158, https://doi.org/10.1002/ffj.1287
. [all data]
Tsiri, Kretsi, et al., 2003
Tsiri, D.; Kretsi, O.; Chinou, I.B.; Spyropoulos, C.G.,
Composition of fruit volatiles and annual changes in the volatiles of leaves of Eucalyptus camaldulensis Dehn. growing in Greece,
Flavour Fragr. J., 2003, 18, 3, 244-247, https://doi.org/10.1002/ffj.1220
. [all data]
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,
Flavour Fragr. J., 2002, 17, 1, 1-4, https://doi.org/10.1002/ffj.1026
. [all data]
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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