Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester
- Formula: C10H12O4
- Molecular weight: 196.1999
- IUPAC Standard InChI: InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3
- IUPAC Standard InChIKey: MWAYRGBWOVHDDZ-UHFFFAOYSA-N
- CAS Registry Number: 617-05-0
- 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: Vanillic acid, ethyl ester; Ethyl vanillate; 4-Hydroxy-3-methoxybenzoic acid ethyl ester; Ethyl 4-hydroxy-3-methoxybenzoate; m-Anisic acid, 4-hydroxy-, ethyl ester; 3-Methoxy-4-hydroxybenzoic acid, ethyl ester
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Normal alkane RI, 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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Stabilwax | DB-Wax | DB-Wax Etr | DB-Wax | Nukol |
| Column length (m) | 30. | 60. | 60. | 30. | 25. |
| Carrier gas | Helium | Helium | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.50 | 0.5 | 0.25 | |
| Program | 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min) | 40 0C (3 min) 10 0C/min -> 90 0C 2 0C/min -> 230 0C (37 min) | 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min) | 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) | 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) |
| I | 2658. | 2654. | 2654. | 2614. | 2661. |
| Reference | Chinnici, Guerrero, et al., 2009 | Loscos, Hernandez-Orte, et al., 2009 | Loskos, Hernandez-Orte, et al., 2007 | Tian, Zhang, et al., 2007 | López and Dufour, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Supelcowax-10 |
| Column length (m) | 30. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.53 |
| Phase thickness (μm) | 0.25 |
| Program | 80C(5min) => 5C/min => 155C => 4C/min => 240C(30min) |
| I | 2612. |
| Reference | Miranda-Lopez, Libbey, et al., 1992 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Chinnici, Guerrero, et al., 2009
Chinnici, F.; Guerrero, E.D.; Sonni, F.; Natali, N.; Marin, R.N.; Riponi, C.,
Gas chromatography - mass spectrometry (GC-MS) characterization of volatile compounds in quality vinegars with protected Europian geographical indication,
J. Agric. Food Chem., 2009, 57, 11, 4784-4792, https://doi.org/10.1021/jf804005w
. [all data]
Loscos, Hernandez-Orte, et al., 2009
Loscos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V.,
Fate of grape flavor precursors during storage on yeast lees,
J. Agric. Food Chem., 2009, 57, 12, 5468-5479, https://doi.org/10.1021/jf804057q
. [all data]
Loskos, Hernandez-Orte, et al., 2007
Loskos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V.,
Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions,
J. Agric. Food Chem., 2007, 55, 16, 6674-6684, https://doi.org/10.1021/jf0702343
. [all data]
Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J.,
Research advances on the essential oils from leaves of Eucalyptus,
Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]
López and Dufour, 2001
López, M.G.; Dufour, J.P.,
Chapter 6. Tequilas: charm analysis of Blanco, Teposado, and Anejo tequilas,
Am. Chem. Soc. Symp. Ser., 2001, 782, 62-72. [all data]
Miranda-Lopez, Libbey, et al., 1992
Miranda-Lopez, R.; Libbey, L.M.; Watson, B.T.; McDaniel, M.R.,
Odor analysis of Pinot noir wines from grapes of different maturities by a gas chromatography-olfactometry technique (Osme),
J. Food Sci., 1992, 57, 4, 985-993, https://doi.org/10.1111/j.1365-2621.1992.tb14339.x
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
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