2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-
- Formula: C13H20O2
- Molecular weight: 208.2967
- IUPAC Standard InChIKey: MDCGEAGEQVMWPE-AATRIKPKSA-N
- CAS Registry Number: 34318-21-3
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 3-Oxo-α-ionol; 4-(3-Hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one; 4-(3-Hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one; 4-(3-Hydroxy-1-butenyl)-isophorone; 9-Hydroxymegastigma-4,7-dien-3-one; Ionol, 3-oxo; Megastigma-4,7-dien-3-one, 9-hydroxy
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-5 MS | SPB-5 | HP-1 | BPX-5 |
Column length (m) | 30. | 30. | 30. | 25. | 50. |
Carrier gas | Helium | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.53 | 0.2 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | |
Tstart (C) | 70. | 70. | 100. | 50. | 50. |
Tend (C) | 200. | 200. | 250. | 300. | 250. |
Heat rate (K/min) | 3. | 3. | 5. | 4. | 3. |
Initial hold (min) | 2. | 2. | 1. | ||
Final hold (min) | 18. | 18. | 10. | ||
I | 1656. | 1660. | 1682. | 1611. | 1668. |
Reference | Jerkovic and Marijanovic, 2010 | Jerkovic, Tuberso, et al., 2010 | Kilic, Kollmannsberger, et al., 2005 | Osorio, Duque, et al., 2003 | D'Arcy, Rintoul, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB5-30W |
Column length (m) | 30. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | 0.25 |
Tstart (C) | 60. |
Tend (C) | 300. |
Heat rate (K/min) | 5. |
Initial hold (min) | |
Final hold (min) | |
I | 1645. |
Reference | Schwab and Schreier, 1988 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Jerkovic and Marijanovic, 2010
Jerkovic, I.; Marijanovic, Z.,
Oak (Quercus frainetto Ten.) honeydaw honey - approach to screening of volatile organic composition and antioxidant capacity (DPPH and FRAP assay),
Molecules, 2010, 15, 5, 3744-3756, https://doi.org/10.3390/molecules15053744
. [all data]
Jerkovic, Tuberso, et al., 2010
Jerkovic, I.; Tuberso, C.I.G.; Gugic, M.; Bubalo, D.,
Composition of Sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compounds,
Molecules, 2010, 15, 9, 6375-6385, https://doi.org/10.3390/molecules15096375
. [all data]
Kilic, Kollmannsberger, et al., 2005
Kilic, A.; Kollmannsberger, H.; Nitz, S.,
Glycosidically bound volatiles and flavor precursors in Laurus nobilis L.,
J. Agric. Food Chem., 2005, 53, 6, 2231-2235, https://doi.org/10.1021/jf040373+
. [all data]
Osorio, Duque, et al., 2003
Osorio, C.; Duque, C.; Batista-Viera, F.,
Studies on aroma generation in lulo (Solanum quitoense): enzymatic hydrolysis of glycosides from leaves,
Food Chem., 2003, 81, 3, 333-340, https://doi.org/10.1016/S0308-8146(02)00427-2
. [all data]
D'Arcy, Rintoul, et al., 1997
D'Arcy, B.R.; Rintoul, G.B.; Rowland, C.Y.; Blackman, A.J.,
Composition of Australian honey extractives. 1. Norisoprenoids, monoterpenes, and other natural volatiles from blue gum (Eucalyptus leucoxylon) and yellow box (Eucalyptus melliodora) honeys,
J. Agric. Food Chem., 1997, 45, 5, 1834-1843, https://doi.org/10.1021/jf960625+
. [all data]
Schwab and Schreier, 1988
Schwab, W.; Schreier, P.,
Simultaneous enzyme catalysis extraction: A versatile technique for the study of flavor precursors,
J. Agric. Food Chem., 1988, 36, 6, 1238-1242, https://doi.org/10.1021/jf00084a028
. [all data]
Notes
Go To: Top, Normal alkane 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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