3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
- Formula: C13H20O2
- Molecular weight: 208.2967
- IUPAC Standard InChIKey: ZTJZJYUGOJYHCU-RMKNXTFCSA-N
- CAS Registry Number: 23267-57-4
- 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:
- Other names: β-Ionon-5,6-epoxide; β-Ionone epoxide; 7-Oxabicyclo[4.1.0]heptane, 3-buten-2-one deriv.; 5,6-Epoxy-β-ionone; 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one; β-Ionone-5,6-epoxide; Epoxy-β-ionone; β-Ionone-5,6-epoxyde; 5,6-β-Ionone epoxide; 2,3-Epoxy-β-ionone; β-ionone-5,6-epoxide (trans type); Trans-β-ionone-5,6-epoxyde; (E)-β-Ionone, 5,6-epoxide; (E)-5,6-Epoxy-β-ionone
- Information on this page:
- Other data available:
- Options:
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 | DB-5 | OV-1 | HP-5 MS | VF-5MS | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 35. | 50. | 70. | 40. | 60. |
Tend (C) | 200. | 250. | 290. | 220. | 250. |
Heat rate (K/min) | 2. | 5. | 5. | 2. | 2. |
Initial hold (min) | 3. | 1. | 8. | ||
Final hold (min) | 2. | 10. | 30. | 15. | |
I | 1455. | 1458. | 1484. | 1497. | 1428. |
Reference | Pattiram, Lasekan, et al., 2011 | Hu, Liang, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Fernandes, de Pinho, et al., 2009 | Ferhat, Tigrine-Kordjani, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-1 | Optima-1 | Methyl Silicone | DB-1 |
Column length (m) | 30. | 50. | 25. | 50. | 50. |
Carrier gas | Helium | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.20 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.5 | |
Tstart (C) | 60. | 60. | 50. | 40. | 0. |
Tend (C) | 250. | 220. | 250. | 260. | 250. |
Heat rate (K/min) | 2. | 2. | 3. | 4. | 3. |
Initial hold (min) | 8. | 3. | 0.5 | ||
Final hold (min) | 15. | 40. | |||
I | 1428. | 1460. | 1463. | 1458. | 1459. |
Reference | Tigrine-Kordiani, Meklati, et al., 2006 | Valette, Fernandez, et al., 2003 | Brun, Bessière, et al., 2001 | Vendramini and Trugo, 2000 | Habu, Flath, et al., 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-1 |
Column length (m) | 50. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | |
Tstart (C) | 50. |
Tend (C) | 250. |
Heat rate (K/min) | 3. |
Initial hold (min) | |
Final hold (min) | |
I | 1459. |
Reference | Habu, Flath, et al., 1985 |
Comment | 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.
Pattiram, Lasekan, et al., 2011
Pattiram, P.D.; Lasekan, O.; Tan, C.P.; Zaidul, I.S.M.,
Identification of the aroma-active constituents of the essential oils of Water Dropwort (Oenanthe javanica) and Kacip Fatimah (Labisia pumilia),
Int. Food Res. J., 2011, 18, 3, 1021-1026. [all data]
Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P.,
Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method,
Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683
. [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]
Fernandes, de Pinho, et al., 2009
Fernandes, F.; de Pinho, P.G.; Valentao, P.; Pereira, J.A.; Andrade, P.B.,
Volatile constituents throughout Brassica oleracea L. var. acephala Germination,
J. Agric. Food Chem., 2009, 57, 15, 6795-6802, https://doi.org/10.1021/jf901532m
. [all data]
Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F.,
Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device,
Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5
. [all data]
Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F.,
Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria,
Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008
. [all data]
Valette, Fernandez, et al., 2003
Valette, L.; Fernandez, X.; Poulain, S.; Loiseau, A.-M.; Lizzani-Cuvelier, L.; Levieil, R.; Restier, L.,
Volatile constituents from Romanesco cauliflower,
Food Chem., 2003, 80, 3, 353-358, https://doi.org/10.1016/S0308-8146(02)00272-8
. [all data]
Brun, Bessière, et al., 2001
Brun, G.; Bessière, J.-M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile components of Catharanthus roseus (L.) G. Don (Apocynaceae),
Flavour Fragr. J., 2001, 16, 2, 116-119, https://doi.org/10.1002/ffj.958
. [all data]
Vendramini and Trugo, 2000
Vendramini, A.L.; Trugo, L.C.,
Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity,
Food Chem., 2000, 71, 2, 195-198, https://doi.org/10.1016/S0308-8146(00)00152-7
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [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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