3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- Formula: C13H22O
- Molecular weight: 194.3132
- IUPAC Standard InChI: InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+
- IUPAC Standard InChIKey: CNOPDZWOYFOHGN-BQYQJAHWSA-N
- CAS Registry Number: 22029-76-1
- 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: 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol; β Ionol; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-ol; But-3-en-2-ol, 4-(2,6,6-trimethyl-1-cyclohexenyl)-
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-1 | 145. | 1406. | Furr, Clifford, et al., 1992 | 15. m/0.25 mm/0.25 μm, H2, He |
| Capillary | DB-1 | 145. | 1406. | Furr, Zeng, et al., 1990 | 15. m/0.25 mm/0.25 μm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1428. | Mahattanatawee, Goodner, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1405. | Hu, Liang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min |
| Capillary | OV-1 | 1407. | Hu, Liang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1968. | Joichi, Yomogida, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 5. K/min, 240. C @ 30. min; Tstart: 60. C |
| Capillary | DB-Wax | 1939. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
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.
Furr, Clifford, et al., 1992
Furr, H.C.; Clifford, A.J.; Jones, A.D.,
Analysis of apocarotenoids and retinoids by capillary gas chromatography - mass spectrometry,
Methods Enzymol., 1992, 213, 281-290. [all data]
Furr, Zeng, et al., 1990
Furr, H.C.; Zeng, S.; Clifford, A.J.; Olson, J.A.,
Capillary gas chromatography of retinoids (vitamin A compounds) and apo-retinoids: determination of Kováts retention indices,
J. Chromatogr., 1990, 527, 406-413, https://doi.org/10.1016/S0378-4347(00)82124-6
. [all data]
Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A.,
Volatile constituents and character impact compounds of selected Florida's tropical fruit,
Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]
Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P.,
Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method,
Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683
. [all data]
Joichi, Yomogida, et al., 2005
Joichi, A.; Yomogida, K.; Awano, K.; Ueda, Y.,
Volatile components of tea-scented modern roses and ancient Chinese roses,
Flavour Fragr. J., 2005, 20, 2, 152-157, https://doi.org/10.1002/ffj.1388
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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