Apocynin
- Formula: C9H10O3
- Molecular weight: 166.1739
- IUPAC Standard InChI: InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
- IUPAC Standard InChIKey: DFYRUELUNQRZTB-UHFFFAOYSA-N
- CAS Registry Number: 498-02-2
- 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:
- Other names: Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-; Acetophenone, 4'-hydroxy-3'-methoxy-; Acetoguaiacon; Acetoguaiacone; Acetovanillone; Acetovanilone; Acetovanyllon; Apocynine; 1-(4-Hydroxy-3-methoxyphenyl)ethanone; 3-Methoxy-4-hydroxyacetophenone; 4-Acetyl-2-methoxyphenol; 4-Hydroxy-3-methoxyacetophenone; 4-Hydroxy-3-methoxyphenyl methyl ketone; 4'-Hydroxy-3'-methoxyacetophenone; 3-Metoksy-4-hydroksyacetofenon; 2-Methoxy-4-acetylphenol; 3'-Methoxy-4'-hydroxyacetophenone; 4-Acetylguaiacol; 4-Hydroxy-3-methoxyphenyl methyl keton; Phenol, 4-acetyl-2-methoxy; NSC 209524; 1-(4-Hydroxy-3-methoxyphenyl)-ethanone (acetovanillone); -Acetylguaiacol
- Information on this page:
- Other data available:
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Normal alkane RI, 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 |
|---|---|---|---|---|
| Active phase | DB-Wax Etr | DB-Wax | Supelcowax-10 | Supelcowax-10 |
| Column length (m) | 60. | 30. | 60. | 60. |
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.75 | 0.75 |
| Phase thickness (μm) | 0.25 | 0.25 | 1. | 1. |
| Tstart (C) | 40. | 40. | 80. | 80. |
| Tend (C) | 230. | 185. | 200. | 200. |
| Heat rate (K/min) | 2. | 4. | 2. | 2. |
| Initial hold (min) | 5. | 4. | 5. | 5. |
| Final hold (min) | 100. | 20. | ||
| I | 2664. | 2640. | 2638. | 2640. |
| Reference | Ibarz, Ferreira, et al., 2006 | Lee and Noble, 2003 | Miranda-López, Libbey, et al., 1992 | Miranda-López, Libbey, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Ibarz, Ferreira, et al., 2006
Ibarz, M.J.; Ferreira, V.; Hernández-Orte, P.; Loscos, N.; Cacho, J.,
Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes,
J. Chromatogr. A, 2006, 1116, 1-2, 217-229, https://doi.org/10.1016/j.chroma.2006.03.020
. [all data]
Lee and Noble, 2003
Lee, S.-J.; Noble, A.C.,
Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry,
J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v
. [all data]
Miranda-López, Libbey, et al., 1992
Miranda-López, R.; Libbey, L.M.; Watson, B.T.; McDaniel, M.R.,
Research note. Identificatiohn of additional odor-active compounds in Pinot noir wines,
Am. J. Enol. Vitic, 1992, 43, 1, 90-92. [all data]
Notes
Go To: Top, Normal alkane RI, 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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