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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- Information on this page:
- Other data available:
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Normal alkane 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-5 MS | HP-5 MS | SLB-5 MS | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | Helium | Helium | Helium | He | Helium |
| 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 | |
| Tstart (C) | 70. | 70. | 50. | 40. | 60. |
| Tend (C) | 290. | 290. | 250. | 220. | 200. |
| Heat rate (K/min) | 5. | 5. | 3. | 3. | 2. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 10. | 10. | 20. | ||
| I | 1281. | 1281. | 1279. | 1298. | 1280. |
| Reference | Lazarevic, Radulovic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Lo Presti, Sciarrone, et al., 2008 | Chyau, Tsai, et al., 2007 | Tiwary, Nail, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | RTX-1 | HP-5MS | CP Sil 5 CB | DB-5 |
| Column length (m) | 50. | 30. | 30. | 25. | 30. |
| Carrier gas | He | N2 | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 35. | 60. |
| Tend (C) | 250. | 300. | 230. | 280. | 280. |
| Heat rate (K/min) | 2. | 4. | 5. | 5. | 4. |
| Initial hold (min) | 2. | 2.5 | 10. | ||
| Final hold (min) | 60. | 10. | 40. | ||
| I | 1251. | 1259. | 1255. | 1239. | 1265. |
| Reference | Bendimerad and Bendiab, 2005 | Kalemba and Thiem, 2004 | Li and Jiang, 2004 | Kanjilal, Kotoky, et al., 2003 | Pino, Marbot, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | OV-101 | DB-5 |
| Column length (m) | 50. | 30. |
| Carrier gas | N2 | |
| Substrate | ||
| Column diameter (mm) | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 80. | 60. |
| Tend (C) | 200. | 300. |
| Heat rate (K/min) | 1. | 4. |
| Initial hold (min) | 2. | |
| Final hold (min) | 20. | 5. |
| I | 1258. | 1271.2 |
| Reference | Menon, Chacko, et al., 1999 | Gawdzik, Mardarowicz, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Lazarevic, Radulovic, et al., 2010
Lazarevic, J.; Radulovic, N.; Palic, R.; Zlatkovic, B.,
Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia,
J. Essential Oil. Res., 2010, 22, 3, 153-156, https://doi.org/10.1080/10412905.2010.9700290
. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [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]
Chyau, Tsai, et al., 2007
Chyau, C.-C.; Tsai, S.-Y.; Yang, J.-H.; Weng, C.-C.; Han, C.-M.; Shih, C.-C.; Mau, J.-L.,
The essential oil of Glossogyne tenuifolia,
Food Chem., 2007, 100, 2, 808-812, https://doi.org/10.1016/j.foodchem.2005.10.044
. [all data]
Tiwary, Nail, et al., 2007
Tiwary, M.; Nail, S.N.; Tewary, D.K.; Mittal, P.K.; Yadav, S.,
Chemical composition and larvicidal activities of the essential oil of Zanthoxylum armatum DC (Rutaceae) against three mosquito vectors,
J. Vect. Borne Dis., 2007, 44, 9, 198-204. [all data]
Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u
. [all data]
Kalemba and Thiem, 2004
Kalemba, D.; Thiem, B.,
Constituents of the essential oils of four micropropagated Solidago species,
Flavour Fragr. J., 2004, 19, 1, 40-43, https://doi.org/10.1002/ffj.1271
. [all data]
Li and Jiang, 2004
Li, R.; Jiang, Z.-T.,
Chemical composition of the essential oil of Cuminum cyminum L. from China,
Flavour Fragr. J., 2004, 19, 4, 311-313, https://doi.org/10.1002/ffj.1302
. [all data]
Kanjilal, Kotoky, et al., 2003
Kanjilal, P.B.; Kotoky, R.; Singh, R.S.,
Chemical composition of the leaf oil of Altingia excelsa Nornha,
Flavour Fragr. J., 2003, 18, 5, 449-450, https://doi.org/10.1002/ffj.1250
. [all data]
Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba,
J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y
. [all data]
Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S.,
Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill),
Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A
. [all data]
Gawdzik, Mardarowicz, et al., 1996
Gawdzik, J.; Mardarowicz, M.; Suprynowicz, Z.; Kawka, S.; Wolski, T.,
Supercritical fluid extraction of essential oils from the fruits of Archangelica off. Hoffm. and their characterization by GC/MS,
J. Hi. Res. Chromatogr., 1996, 19, 4, 237-240, https://doi.org/10.1002/jhrc.1240190416
. [all data]
Notes
Go To: Top, Normal alkane 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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