Humulene epoxide
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+
- IUPAC Standard InChIKey: RKQDKXOBRXTSFS-PIHCAMFYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Humulene 6,7-epoxide; Humulene oxide I; α-humulene oxide; α-humulene epoxide I
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, 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 | RTX-Wax | Carbowax 20M | Carbowax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 60. | 60. | 30. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 70. | 50. |
| Tend (C) | 230. | 230. | 180. | 230. | 180. |
| Heat rate (K/min) | 2. | 3. | 5. | 2. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 35. | 20. | 40. | ||
| I | 2011. | 1972. | 2012. | 1971. | 2038. |
| Reference | Paolini, Tomi, et al., 2008 | Limberger, Scopel, et al., 2007 | Singh, Kumar, et al., 2007 | Choi, 2006 | Lee, Umano, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | FFAP | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 25. | 60. | 30. |
| Carrier gas | He | He | N2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.319 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 40. | 70. | 60. | 60. |
| Tend (C) | 200. | 200. | 210. | 240. | 300. |
| Heat rate (K/min) | 2. | 2. | 3. | 4. | 8. |
| Initial hold (min) | 2. | 2. | 5. | ||
| Final hold (min) | 15. | ||||
| I | 2010. | 2033. | 2037. | 2058. | 1972. |
| Reference | Umano, Hagi, et al., 2000 | Umano, Hagi, et al., 2000 | Ajaiyeoba and Ekundayo, 1999 | Ngassoum, Yonkeu, et al., 1999 | Malizia, Molli, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Paolini, Tomi, et al., 2008
Paolini, J.; Tomi, P.; Bernardini, A.-F.; Bradesi, P.; Casanova, J.; Kaloustian, J.,
Detailed analysis of the essential oil from Cistus albidus L. by combination of GC/RI, GC/MS and 13C-NMR spectroscopy,
N.Z. J. Agric. Res., 2008, 22, 14, 1270-1278. [all data]
Limberger, Scopel, et al., 2007
Limberger, R.P.; Scopel, M.; Sobral, M.; Henriques, A.T.,
Comparative analysis of volatiles from Drimys brasiliensis Miers and D. angustifolia Miers (Winteraceae) from Southern Brazil,
Biochem. Syst. Ecol., 2007, 35, 3, 130-137, https://doi.org/10.1016/j.bse.2006.09.007
. [all data]
Singh, Kumar, et al., 2007
Singh, B.; Kumar, R.; Bhandari, S.; Pathania, S.; Lal, B.,
Volatile constituents of natural Boswellia serrata oleo-gum-resin and commercial samples,
Flavour Fragr. J., 2007, 22, 2, 145-147, https://doi.org/10.1002/ffj.1772
. [all data]
Choi, 2006
Choi, H.-S.,
Headspace analyses of fresh leaves and stems of Angelica gigas Nakai, a Korean medicinal herb,
Flavour Fragr. J., 2006, 21, 4, 604-608, https://doi.org/10.1002/ffj.1602
. [all data]
Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056
. [all data]
Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738
. [all data]
Ajaiyeoba and Ekundayo, 1999
Ajaiyeoba, E.O.; Ekundayo, O.,
Essential oil constituents of Aframomum melegueta (Roscoe) K. Schum. seeds (alligator pepper) from Nigeria,
Flavour Fragr. J., 1999, 14, 2, 109-111, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<109::AID-FFJ775>3.0.CO;2-M
. [all data]
Ngassoum, Yonkeu, et al., 1999
Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H.,
Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar,
Flavour Fragr. J., 1999, 14, 4, 245-250, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<245::AID-FFJ819>3.0.CO;2-X
. [all data]
Malizia, Molli, et al., 1996
Malizia, R.A.; Molli, J.S.; Cardell, D.A.; Retamar, J.A.,
Volatile constituents of the essential oil of Nepeta cataria L. grown in Cordoba Province (Argentina),
J. Essent. Oil Res., 1996, 8, 5, 565-567, https://doi.org/10.1080/10412905.1996.9700691
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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