Methyl 2-furoate
- Formula: C6H6O3
- Molecular weight: 126.1100
- IUPAC Standard InChI: InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
- IUPAC Standard InChIKey: HDJLSECJEQSPKW-UHFFFAOYSA-N
- CAS Registry Number: 611-13-2
- 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: 2-Furancarboxylic acid, methyl ester; 2-Furoic acid, methyl ester; Methyl pyromucate; Methyl 2-furancarboxylate; Pyromucic acid methyl ester; Methyl α-furoate; Furan-α-carboxylic acid methyl ester; 2-(Methoxycarbonyl)furan; Methyl 2-furylcarboxylate; NSC 35551; Methyl furoate; Furancarboxylic acid, methyl ester; Furoic acid, methyl ester
- Information on this page:
- Other data available:
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Van Den Dool and Kratz RI, 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 | Capillary |
|---|---|---|---|---|
| Active phase | ZB-Wax | DB-Wax | AT-Wax | Carbowax 20M |
| Column length (m) | 30. | 30. | 60. | 50. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.15 | 0.25 | 0.25 | |
| Tstart (C) | 35. | 40. | 65. | 50. |
| Tend (C) | 220. | 240. | 250. | 200. |
| Heat rate (K/min) | 5. | 6. | 2. | 2. |
| Initial hold (min) | 5. | 10. | 10. | 5. |
| Final hold (min) | 10. | 25. | 60. | 40. |
| I | 1572. | 1553. | 1563. | 1569. |
| Reference | Ledauphin, Saint-Clair, et al., 2004 | Varming, Andersen, et al., 2004 | Pino, Almora, et al., 2003 | Chen, Kuo, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Varming, Andersen, et al., 2004
Varming, C.; Andersen, M.L.; Poll, L.,
Influence of thermal treatment on black currant (Ribes nigrum L.) juice aroma,
J. Agric. Food Chem., 2004, 52, 25, 7628-7636, https://doi.org/10.1021/jf049435m
. [all data]
Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248
. [all data]
Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M.,
Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.),
J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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