2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- Formula: C13H20O
- Molecular weight: 192.2973
- IUPAC Standard InChIKey: BGTBFNDXYDYBEY-FNORWQNLSA-N
- CAS Registry Number: 35044-68-9
- 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: 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one; 2,6,6-Trimethyl-1-crotonoyl-1-cyclohexene; β-Damascone; (E)-β-Damascone; Dorinone; Damascone
- Information on this page:
- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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 | HP-5 MS | HP-5 MS | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 70. | 70. | 60. |
Tend (C) | 220. | 260. | 290. | 290. | 280. |
Heat rate (K/min) | 4. | 4. | 5. | 5. | 5. |
Initial hold (min) | 20. | 0.5 | |||
Final hold (min) | 20. | 5. | 10. | 10. | 2. |
I | 1394. | 1412. | 1420. | 1411. | 1415. |
Reference | Feizbakhsh and Naeemy, 2011 | Miyazawa, Marumoto, et al., 2011 | Radulovic, Blagojevic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Ozel, Gogus, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | HP-5 | HP-1 |
Column length (m) | 60. | 50. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 0.5 |
Tstart (C) | 30. | 60. |
Tend (C) | 260. | 220. |
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | 2. | |
Final hold (min) | 28. | 40. |
I | 1419.3 | 1392. |
Reference | Leffingwell and Alford, 2005 | Valette, Fernandez, et al., 2003 |
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.
Feizbakhsh and Naeemy, 2011
Feizbakhsh, A.; Naeemy, A.,
Volatile constituents of essential oils of Eleocharis pauciflora (Light) Link and Eleocharis uniglumis (Link) J.A. Schultes growing wild in Iran,
Bull. Chem. Soc. Ethiop., 2011, 25, 3, 461-464, https://doi.org/10.4314/bcse.v25i3.68606
. [all data]
Miyazawa, Marumoto, et al., 2011
Miyazawa, M.; Marumoto, S.; Kobayashi, T.; Yoshida, S.; Utsumi, Y.,
Determination of characteristic components in essential oils from Wisteria braphybotrys using gas chromatography - olfactometry incremental dilution technique,
Rec. Nat. Prod., 2011, 5, 3, 221-227. [all data]
Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [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]
Ozel, Gogus, et al., 2006
Ozel, M.Z.; Gogus, F.; Lewis, A.C.,
Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS,
Anal. Chim. Acta., 2006, 566, 2, 172-177, https://doi.org/10.1016/j.aca.2006.03.014
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [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]
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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