2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- Formula: C13H20O
- Molecular weight: 192.2973
- IUPAC Standard InChI: InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
- 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
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- 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
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- Other data available:
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Van Den Dool and Kratz 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 |
|---|---|---|
| Active phase | ZB-Wax | DB-Wax |
| Column length (m) | 30. | 0. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.15 | 0.5 |
| Tstart (C) | 35. | 40. |
| Tend (C) | 220. | 240. |
| Heat rate (K/min) | 5. | 7. |
| Initial hold (min) | 5. | |
| Final hold (min) | 10. | 5. |
| I | 1797. | 1782. |
| Reference | Ledauphin, Basset, et al., 2006 | Gocmen, Gurbuz, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Ledauphin, Basset, et al., 2006
Ledauphin, J.; Basset, B.; Cohen, S.; Payot, T.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled Calvados and Cognac: Carbonyl and sulphur compounds,
J. Food Comp. Anal., 2006, 19, 1, 28-40, https://doi.org/10.1016/j.jfca.2005.03.001
. [all data]
Gocmen, Gurbuz, et al., 2004
Gocmen, D.; Gurbuz, O.; Rouseff, R.L.; Smoot, J.M.; Dagdelen, A.F.,
Gas chromatographic-olfactometric characterization of aroma active compounds in sun-dried and vacuum-dried tarhana,
Eur. Food Res. Technol., 2004, 218, 6, 573-578, https://doi.org/10.1007/s00217-004-0913-6
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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