2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-
- Formula: C10H12O2
- Molecular weight: 164.2011
- IUPAC Standard InChI: InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
- IUPAC Standard InChIKey: FUWUEFKEXZQKKA-UHFFFAOYSA-N
- CAS Registry Number: 499-44-5
- 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. - Other names: beta-Isopropyltropolone; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-; β-Isopropyltropolon; β-Thujaplicin; β-Thujaplicine; Hinokitiol; 4-Isopropyltropolone; 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one; Hinokitol; Tropolone, 4-isopropyl-; Thujaplicin, β; NSC 18804; 2-hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1559. | bin Jantan, Yassin, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 75. C @ 10. min, 3. K/min; Tend: 230. C |
| Capillary | SE-30 | 1559. | bin Jantan, Basni, et al., 2001 | N2, 60. C @ 10. min, 3. K/min, 180. C @ 1. min; Column length: 25. m; Column diameter: 0.20 mm |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
bin Jantan, Yassin, et al., 2003
bin Jantan, I.; Yassin, M.S.M.; Chin, C.B.; Chen, L.L.; Sim. N.L.,
Antifungal activity of the essential oils of nine Zingiberaceae species,
Pharm. Biol., 2003, 41, 5, 392-397, https://doi.org/10.1076/phbi.41.5.392.15941
. [all data]
bin Jantan, Basni, et al., 2001
bin Jantan, I.; Basni, I.; Ahmad, A.S.; Ali, N.A.M.; Ahmad, A.R.; Ibrahim, H.,
Constituents of the rhizome oils of Boesenbergia pandurata (Roxb.) Schlecht from Malaysia, Indonesia and Thailand,
Flavour Fragr. J., 2001, 16, 2, 110-112, https://doi.org/10.1002/ffj.956
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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