2-Furancarboxylic acid, ethyl ester
- Formula: C7H8O3
- Molecular weight: 140.1366
- IUPAC Standard InChI: InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
- IUPAC Standard InChIKey: NHXSTXWKZVAVOQ-UHFFFAOYSA-N
- CAS Registry Number: 614-99-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Furoic acid, ethyl ester; Ethyl furan-2-carboxylate; Ethyl pyromucate; Ethyl 2-furancarboxylate; Ethyl 2-furoate; Furan-2-carboxylic acid ethyl ester; 2-Carboethoxyfuran; 2-(Ethoxycarbonyl)furan; Ethyl 2-furylcarboxylate; NSC 2304; Ethyl furoate
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Normal alkane RI, non-polar column, custom temperature program
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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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | SPB-1 | SE-30 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| 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 | 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) | not specified | not specified |
| I | 1053. | 1045. | 1009. | 1029. | 1045. |
| Reference | Zhao, Li, et al., 2008 | Zhao, Li, et al., 2008 | Bosch-Fuste, Riu-Aumatell, et al., 2007 | Vinogradov, 2004 | Jordán, Goodner, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | 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]
Bosch-Fuste, Riu-Aumatell, et al., 2007
Bosch-Fuste, J.; Riu-Aumatell, M.; Guadayol, J.M.; Caixach, J.; Lopez-Tamames, E.; Buxaderas, S.,
Volatile profiles of sparkling wines obtained by three extraction methods and gas chromatography-mass spectrometry (GC-MS) analysis,
Food Chem., 2007, 105, 1, 428-435, https://doi.org/10.1016/j.foodchem.2006.12.053
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Jordán, Goodner, et al., 2002
Jordán, M.J.; Goodner, K.L.; Shaw, P.E.,
Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O,
J. Agric. Food Chem., 2002, 50, 6, 1523-1528, https://doi.org/10.1021/jf011077p
. [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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