Oxo-β-cyclocitral
- Formula: C10H14O2
- Molecular weight: 166.2170
- IUPAC Standard InChI: InChI=1S/C10H14O2/c1-7-8(6-11)10(2,3)5-4-9(7)12/h6H,4-5H2,1-3H3
- IUPAC Standard InChIKey: FRKQOTHZPTXCJI-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2,6,6-trimethyl-3-oxo-1-cyclohexene-1-carboxaldehyde; 2,6,6-Trimethyl-3-oxocyclohex-1-ene-1-carbaldehyde
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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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1299. | Zhu, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min) |
| Capillary | DB-5 MS | 1304. | Zhu, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min) |
| Capillary | HP-5MS | 1226. | Kanakis, Daferera, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 3C/min) => 180C => 15C/min => 250C(5min) |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zhu, Li, et al., 2008
Zhu, M.; Li, E.; He, H.,
Determination of volatile chemical constitutes in tea by simultaneous distillation extraction, vacuum hydrodistillation and thermal desrption,
Chromatographia, 2008, 68, 7/8, 603-610, https://doi.org/10.1365/s10337-008-0732-1
. [all data]
Kanakis, Daferera, et al., 2004
Kanakis, C.D.; Daferera, D.J.; Tarantilis, P.A.; Polissiou, M.G.,
Qualitative determination of volatile compounds and quantitative evaluation of safranal and 4-hydroxy-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde (HTCC) in Greek saffron,
J. Agric. Food Chem., 2004, 52, 14, 4515-4521, https://doi.org/10.1021/jf049808j
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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