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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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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 | Elite-5MS | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. |
| Tend (C) | 280. | 250. | 250. |
| Heat rate (K/min) | 4. | 4. | 2. |
| Initial hold (min) | 5. | 2. | |
| Final hold (min) | 10. | 5. | |
| I | 1582. | 1570. | 1589. |
| Reference | Tava, Pecetti, et al., 2007 | Xu, Fan, et al., 2007 | Güntert, Rapp, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | 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.
Tava, Pecetti, et al., 2007
Tava, A.; Pecetti, L.; Ricci, M.; Pagnotta, M.A.; Russi, L.,
Volatile compounds from leaves and flowers of Bituminaria bituminosa (L.) Stirt. (Fabaceae) from Italy,
Flavour Fragr. J., 2007, 22, 5, 363-370, https://doi.org/10.1002/ffj.1806
. [all data]
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
. [all data]
Güntert, Rapp, et al., 1986
Güntert, M.; Rapp, A.; Takeoka, G.R.; Jennings, W.,
HRGC and HRGC-MS applied to wine constituents of lower volatility,
Z. Lebensm. Unters. Forsch., 1986, 182, 3, 200-204, https://doi.org/10.1007/BF01042128
. [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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