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
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:
- Options:
Kovats' RI, non-polar column, isothermal
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 |
|---|---|---|---|---|
| Active phase | SPB-1 | SPB-1 | SPB-1 | SPB-1 |
| Column length (m) | 37. | 37. | 37. | 37. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Temperature (C) | 132. | 143. | 152. | 162. |
| I | 1395. | 1400. | 1406. | 1408. |
| Reference | Misharina, Samusenko, et al., 2002 | Misharina, Samusenko, et al., 2002 | Misharina, Samusenko, et al., 2002 | Misharina, Samusenko, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Misharina, Samusenko, et al., 2002
Misharina, T.A.; Samusenko, A.L.; Belyaeva, N.V.,
Gas chromatographic and IR spectroscopic characteristics of tri- and tetramethylcyclohexenyl butenyl ketones,
Russ. Chem. Bull. (Engl. Transl.), 2002, 51, 9, 1684-1688, https://doi.org/10.1023/A:1021347404479
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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