2-Furancarboxaldehyde, 5-methyl-
- Formula: C6H6O2
- Molecular weight: 110.1106
- IUPAC Standard InChIKey: OUDFNZMQXZILJD-UHFFFAOYSA-N
- CAS Registry Number: 620-02-0
- 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: 2-Furaldehyde, 5-methyl-; Furfural, 5-methyl-; 2-Formyl-5-methylfuran; 2-Methyl-5-formylfuran; 5-Methyl-2-furaldehyde; 5-Methyl-2-furancarboxaldehyde; 5-Methyl-2-furfural; 5-Methylfurfural; 5-Methylfurfuraldehyde; 5-MethyIfurfural; 5-Methyl-2-furanaldehyde; 5-Methyl-2-furancarbaldehyde; 5-Methylfuran-2-carbaldehyde; 5-Methyl-2-furfuraldehyde; 5-Methylfuran-2-al; 5-Methyl-2-furancarboxyaldehyde; Methyl-5-furfural; 5-ethyl-2-furfural; 5-Methyl-2-furancarboxaldehyde (5-methylfurfural)
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Van Den Dool and Kratz 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 | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | HP-Innowax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 60. | 30. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 50. | 40. | 40. |
Tend (C) | 250. | 250. | 220. | 265. | 265. |
Heat rate (K/min) | 4. | 4. | 4. | 7. | 7. |
Initial hold (min) | 5. | 5. | 4. | ||
Final hold (min) | 15. | 15. | 10. | 5. | 5. |
I | 1570. | 1567. | 1558. | 1607. | 1597. |
Reference | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | Quijano, Linares, et al., 2007 | Gurbuz O., Rouseff J.M., et al., 2006 | Gurbuz O., Rouseff J.M., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | CP-Wax 52CB | CP-Wax 52CB | OV-351 | Innowax |
Column length (m) | 30. | 50. | 50. | 50. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.5 | 0.2 | 0.25 | ||
Tstart (C) | 40. | 60. | 60. | 60. | 40. |
Tend (C) | 240. | 220. | 220. | 220. | 200. |
Heat rate (K/min) | 5. | 4. | 4. | 5. | 5. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | 10. | 30. | 30. | 2. | |
I | 1578. | 1570. | 1566. | 1540. | 1577. |
Reference | Lopez-Galilea I., Fournier N., et al., 2006 | Mahadevan and Farmer, 2006 | Mahadevan and Farmer, 2006 | Bonvehí, 2005 | Pena, Barciela, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | DB-Wax | ZB-Wax | OV-351 | DB-Wax |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | He | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.50 | 0.15 | 0.2 | 0.5 |
Tstart (C) | 60. | 40. | 35. | 60. | 40. |
Tend (C) | 240. | 240. | 220. | 220. | 240. |
Heat rate (K/min) | 3. | 7. | 1.8 | 5. | 7. |
Initial hold (min) | 5. | 10. | |||
Final hold (min) | 10. | 5. | 10. | 5. | |
I | 1562. | 1560. | 1566. | 1540. | 1560. |
Reference | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Bell, 2004 | Ledauphin, Saint-Clair, et al., 2004 | Bonvehi and Coll, 2003 | Valim, Rouseff, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | AT-Wax | Supelcowax-10 | Supelcowax-10 | CP-Wax 52CB |
Column length (m) | 60. | 60. | 60. | 60. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 35. | 65. | 35. | 35. | 60. |
Tend (C) | 195. | 250. | 195. | 195. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 4. |
Initial hold (min) | 5. | 10. | 5. | 5. | |
Final hold (min) | 90. | 60. | 90. | 90. | 30. |
I | 1580. | 1556. | 1580. | 1580. | 1563. |
Reference | Chung, Yung, et al., 2002 | Pino, Marbot, et al., 2002 | Chung, Yung, et al., 2001 | Chung, 2000 | Chevance and Farmer, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | CP-Wax 52CB | Supelcowax-10 | PEG-20M | DB-Wax |
Column length (m) | 50. | 50. | 60. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 60. | 40. | 35. | 50. | 50. |
Tend (C) | 220. | 220. | 195. | 230. | 230. |
Heat rate (K/min) | 4. | 4. | 2. | 2. | 3. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | 30. | 30. | 90. | 60. | |
I | 1560. | 1567. | 1580. | 1574. | 1522. |
Reference | Chevance and Farmer, 1999, 2 | Chevance and Farmer, 1999, 2 | Chung, 1999 | Shimoda, Nakada, et al., 1997 | Shimoda, Peralta, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 40M | CP-WAX 57CB |
Column length (m) | 60. | 60. | 60. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.24 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 50. | 50. | 50. | 50. | 50. |
Tend (C) | 230. | 230. | 230. | 200. | 210. |
Heat rate (K/min) | 2. | 3. | 2. | 4. | 2. |
Initial hold (min) | 5. | ||||
Final hold (min) | 60. | ||||
I | 1574. | 1573. | 1604. | 1560. | 1556. |
Reference | Shimoda, Shiratsuchi, et al., 1996 | Shimoda, Wu, et al., 1996 | Shimoda, Shigematsu, et al., 1995 | Golovnya, Misharina, et al., 1992 | Baltes and Mevissen, 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 20M |
Column length (m) | 50. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | |
Tstart (C) | 50. |
Tend (C) | 200. |
Heat rate (K/min) | 2. |
Initial hold (min) | 5. |
Final hold (min) | 40. |
I | 1563. |
Reference | Chen, Kuo, et al., 1986 |
Comment | 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.
Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N.,
Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes,
J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y
. [all data]
Quijano, Linares, et al., 2007
Quijano, C.E.; Linares, D.; Pino, J.A.,
Changes in volatile compounds of fermented cereza agria [Phyllanthus acidus (L.) Skeels] fruit,
Flavour Fragr. J., 2007, 22, 5, 392-394, https://doi.org/10.1002/ffj.1810
. [all data]
Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L.,
Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry,
J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p
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Lopez-Galilea I., Fournier N., et al., 2006
Lopez-Galilea I.; Fournier N.; Cid C.; Guichard E.,
Changes in headspace volatile concentrations of coffee brews caused by the roasting process and the brewing procedure,
J. Agric. Food Chem., 2006, 54, 22, 8560-8566, https://doi.org/10.1021/jf061178t
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Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x
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Bonvehí, 2005
Bonvehí, J.S.,
Investigation of aromatic compounds in roasted cocoa powder,
Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y
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Pena, Barciela, et al., 2005
Pena, R.M.; Barciela, J.; Herrero, C.; Garcia-Martin, S.,
Optimization of solid-phase microextraction methods for GC-MS determination of terpenes in wine,
J. Sci. Food Agric., 2005, 85, 7, 1227-1234, https://doi.org/10.1002/jsfa.2121
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Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S.,
Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments,
J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z
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Bell, 2004
Bell, W.A.-M.,
Examination of Aroma Volatiles Formed from Thermal Processing of Florida Reconstituted Grapefruit Juice. A Thesis presented to the graduate school of the university of Florida in partial fulfillment of the requirements for the degree of master of science, 2004. [all data]
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]
Bonvehi and Coll, 2003
Bonvehi, J.S.; Coll, F.V.,
Flavour index and aroma profiles of fresh and processed honeys,
J. Sci. Food Agric., 2003, 83, 4, 275-282, https://doi.org/10.1002/jsfa.1308
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Valim, Rouseff, et al., 2003
Valim, M.F.; Rouseff, R.L.; Lin, J.,
Gas chromatographic-olfactometric characterization of aroma compounds in two types of cashew apple nectar,
J. Agric. Food Chem., 2003, 51, 4, 1010-1015, https://doi.org/10.1021/jf025738+
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Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S.,
Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry,
Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i
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Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S.,
Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods,
J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a
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Chung, 2000
Chung, H.Y.,
Volatile flavor components in red fermented soybean (Glycine max) curds,
J. Agric. Food Chem., 2000, 48, 5, 1803-1809, https://doi.org/10.1021/jf991272s
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Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Identification of major volatile odor compounds in frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d
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Chevance and Farmer, 1999, 2
Chevance, F.F.V.; Farmer, L.J.,
Release of volatile odor compounds from full-fat and reduced-fat frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166
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Chung, 1999
Chung, H.Y.,
Volatile components in fermented soybean (Glycine max) curds,
J. Agric. Food Chem., 1999, 47, 7, 2690-2696, https://doi.org/10.1021/jf981166a
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Shimoda, Nakada, et al., 1997
Shimoda, M.; Nakada, Y.; Nakashima, M.; Osajima, Y.,
Quantitative comparison of volatile flavor compounds in deep-roasted and light-roasted sesame seed oil,
J. Agric. Food Chem., 1997, 45, 8, 3193-3196, https://doi.org/10.1021/jf970172o
. [all data]
Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y.,
Headspace gas analysis of fish sauce,
J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u
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Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y.,
Identification and sensory characterization of volatile flavor compounds in sesame seed oil,
J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f
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Shimoda, Wu, et al., 1996
Shimoda, M.; Wu, Y.; Osajima, Y.,
Aroma compounds from aqueous solution of Haze (Rhus succedanea) honey determined by adsorptive column chromatography,
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Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y.,
Comparison of volatile compounds among different grades of green tea and their relations to odor attributes,
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Golovnya, Misharina, et al., 1992
Golovnya, R.V.; Misharina, T.A.; Beletskiy, I.V.,
Influence of methyl, formyl and acetyl groups on retention of substituted furans and thiophenes in capillary GC,
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Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L.,
Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting,
Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341
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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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