β-Elemenone
- Formula: C15H22O
- Molecular weight: 218.3346
- IUPAC Standard InChI: InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3
- IUPAC Standard InChIKey: ABLPGPHZENVRRH-UHFFFAOYSA-N
- CAS Registry Number: 20303-60-0
- 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. - Stereoisomers:
- Other names: (4S)--trans-β-Elemenone; Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, (4S,5S)-; 4-Isopropenyl-5-methyl-2-(1-methylethylidene)-5-vinylcyclohexanone, (4S,5S)-; Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, (4S-trans)-; (E)-β-Elemenone; elemenone
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Van Den Dool and Kratz 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 |
|---|---|---|
| Active phase | Methyl Silicone | ZB-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 80. | 50. |
| Tend (C) | 220. | 250. |
| Heat rate (K/min) | 2. | 3. |
| Initial hold (min) | ||
| Final hold (min) | 15. | |
| I | 1600. | 1597. |
| Reference | Melo, Corrêa, et al., 2007 | Simoniatto, Bonani, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Melo, Corrêa, et al., 2007
Melo, R.M.; Corrêa, V.F.S.; Amorim, A.C.L.; Miranda, A.L.P.; Rezende, C.M.,
Identification of Impact Aroma Compounds in Eugenia uniflora L. (Brazilian Pitanga) Leaf Essential Oil,
J. Braz. Chem. Soc., 2007, 18, 1, 179-183, https://doi.org/10.1590/S0103-50532007000100020
. [all data]
Simoniatto, Bonani, et al., 2007
Simoniatto, E.; Bonani, V.F.L.; Morel, A.F.; Poppi, N.R.; Raposo, J.L., Jr.; Stuker, C.Z.; Peruzzo, G.M.; Peres, M.T.L.P.; Hess, S.C.,
Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark,
J. Braz. Chem., 2007, 18, 5, 879-885, https://doi.org/10.1590/S0103-50532007000500002
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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