2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-
- Formula: C10H12O3
- Molecular weight: 180.2005
- IUPAC Standard InChI: InChI=1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3
- IUPAC Standard InChIKey: LFVCJQWZGDLHSD-UHFFFAOYSA-N
- CAS Registry Number: 2503-46-0
- 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: Guaiacylacetone; Vanillyl methyl ketone; 4-Hydroxy-3-methoxyphenyl acetone; 2-Propanone, (4-hydroxy-3-methoxyphenyl)-; Methyl vanillyl ketone; 1-(4-Hydroxy-3-methoxy-phenyl)-propan-2-one; 1-(4-hydroxy-3-methoxyphenyl)-2-propanone; 2-Propiovanillone; 4-Hydroxy-3-methoxyphenylpropan-2-one; 1-(4-Hydroxy-3-methoxyphenyl)acetone; Vanilloylmethyl ketone; 1-(4-Hydroxy-3-methoxyphenyl)-2-propanone (guaiacylacetone); Amphetamine M (desamino-oxo-hydroxy-methoxy)
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- Other data available:
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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 | Capillary |
|---|---|---|---|
| Active phase | HP-5 | HP-5 | CP-Sil5 CB MS |
| Column length (m) | 30. | 30. | 50. |
| Carrier gas | N2 | ||
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.2 |
| Program | 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) | not specified | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) |
| I | 1536. | 1513. | 1488. |
| Reference | Zhao, Li, et al., 2008 | Zhao, Li, et al., 2008 | Callemien, Dasnoy, et al., 2006 |
| Comment | MSDC-RI | 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.
Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G.,
EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0
. [all data]
Callemien, Dasnoy, et al., 2006
Callemien, D.; Dasnoy, S.; Collin, S.,
Identification of a stale-beer-like odorant in extracts of naturally aged beer,
J. Agric. Food Chem., 2006, 54, 4, 1409-1413, https://doi.org/10.1021/jf051772n
. [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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