2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-
- Formula: C13H18O3
- Molecular weight: 222.2802
- IUPAC Standard InChI: InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+
- IUPAC Standard InChIKey: JJRYPZMXNLLZFH-AATRIKPKSA-N
- CAS Registry Number: 7070-24-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Species with the same structure:
- Stereoisomers:
- Other names: 4-Hydroxy-3,5,5-trimethyl-4-[3-oxo-1-butenyl]-2-cyclohexen-1-one; 2-Cyclohexen-1-one-4-ol, 3,5,5-trimethyl-4-(3-oxo-1-butenyl); 4-Hydroxy-4-(3-oxo-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, custom temperature program
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 |
|---|---|---|
| Active phase | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 50. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 1.2 | |
| Program | 36 0C 20 K/min -> 85 0C 1 K/min -> 145 oC 3 K/min -> 250 0C | 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C |
| I | 1760. | 1757. |
| Reference | Guyot-Declerck, Chevance, et al., 2000 | Guyot, Scheirman, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Guyot-Declerck, Chevance, et al., 2000
Guyot-Declerck, C.; Chevance, F.; Lermusieau, G.; Collin, S.,
Optimized extraction procedure for quantifying norisoprenoids in honey and honey food products,
J. Agric. Food Chem., 2000, 48, 12, 5850-5855, https://doi.org/10.1021/jf000504g
. [all data]
Guyot, Scheirman, et al., 1999
Guyot, C.; Scheirman, V.; Collin, S.,
Floral origin markers of heather honeys: Calluna vulgaris and Erica arborea,
Food Chem., 1999, 64, 1, 3-11, https://doi.org/10.1016/S0308-8146(98)00122-8
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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