1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- Formula: C14H22O
- Molecular weight: 206.3239
- IUPAC Standard InChI: InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
- IUPAC Standard InChIKey: LMWNGLDCJDIIBR-CMDGGOBGSA-N
- CAS Registry Number: 127-43-5
- 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: β-Ionone, methyl-; β-Iraldeine; β-Methylionone; Methyl-β-ionone; 5-(2,6,6-Trimethyl-1-cyclohexenyl)-4-penten-3-one; β-N-Methyl ionone; 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one; 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one
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Phase change data
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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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 16.8 | 303. | A | Stephenson and Malanowski, 1987 | Based on data from 288. to 333. K. |
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 | SE-30 | 100. | 1556.8 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1988. | Kanasawud and Crouzet, 1990 | 50. C @ 10. min, 4. K/min; Column length: 40. m; Column diameter: 0.4 mm; Tend: 170. C |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
Kanasawud and Crouzet, 1990
Kanasawud, P.; Crouzet, J.C.,
Mechanism of formation of volatile compounds by thermal degradation of carotenoids in aqueous medium. 1. β-Carotene degradation,
J. Agric. Food Chem., 1990, 38, 1, 237-243, https://doi.org/10.1021/jf00091a052
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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