2-Butanone, 4-(5-methyl-2-furanyl)-
- Formula: C9H12O2
- Molecular weight: 152.1904
- IUPAC Standard InChI: InChI=1S/C9H12O2/c1-7(10)3-5-9-6-4-8(2)11-9/h4,6H,3,5H2,1-2H3
- IUPAC Standard InChIKey: CWKYCXPGVIFXOH-UHFFFAOYSA-N
- CAS Registry Number: 13679-56-6
- 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: 4-(5-Methyl-2-furyl)-2-butanone; Furan, 2-methyl-5-(3-oxobutyl); 1-(5-methyl-2-furanyl)-3-butanone; 4-(5-Methyl-2-furanyl)-2-butanone; 2-Butanone, 4-(5-methyl-2-furyl)
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Gas Chromatography
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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
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-WAX 57CB | 1695. | Baltes and Mevissen, 1988 | He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C |
| Capillary | CP-WAX 57CB | 1712. | Salter L.J., Mottram D.S., et al., 1988 | 60. C @ 5. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax | 1702. | Baltes w. and Bochmann G., 1987 | Column diameter: 0.3 mm; Program: not specified |
| Capillary | Carbowax | 1703. | Baltes w. and Bochmann G., 1987 | Column diameter: 0.3 mm; Program: not specified |
| Capillary | Carbowax | 1703. | Baltes w. and Bochmann G., 1987 | Column diameter: 0.3 mm; Program: not specified |
| Capillary | Carbowax | 1705. | Baltes w. and Bochmann G., 1987 | Column diameter: 0.3 mm; Program: not specified |
| Capillary | Carbowax | 1705. | Baltes w. and Bochmann G., 1987 | Column diameter: 0.3 mm; Program: not specified |
| Capillary | Carbowax | 1709. | Baltes w. and Bochmann G., 1987 | Column diameter: 0.3 mm; Program: not specified |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1160. | Zenkevich, 1999 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1160. | Zenkevich, 1997 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1745. | Budryn, Nebesny, et al., 2011 | 30. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 5. min, 4. K/min, 250. C @ 45. min |
| Capillary | FFAP | 1745. | Nebesny, Budryn, et al., 2007 | 30. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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
. [all data]
Salter L.J., Mottram D.S., et al., 1988
Salter L.J.; Mottram D.S.; Whitfield,
Volatile compounds produces in Maillard reactions involving glycine, ribose and phospholid,
J. Sci. Food Agric., 1988, 46, 2, 227-242, https://doi.org/10.1002/jsfa.2740460211
. [all data]
Baltes w. and Bochmann G., 1987
Baltes w.; Bochmann G.,
Model reactions on roast aroma formation. II. Mass spectrometric identification of furans and furanones from the reaction of serine and threonine with sucrose under the conditions of coffee roasting,
Z. Lebensm. Unters. Forsch., 1987, 184, 179-186. [all data]
Zenkevich, 1999
Zenkevich, I.G.,
New Application of the Retention Index Concept in Gas and High Performance Liquid Chromatography,
Fresenius' J. Anal. Chem., 1999, 365, 4, 305-309, https://doi.org/10.1007/s002160051491
. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Influence of the Variations of Dynamics Molecular Parameterts on the Additivity of Chromatigraphic Retention Indices of Products of Organic Reactions Relative to Initial Reagents,
Dokl. Akad. Nauk (Rus.), 1997, 353, 5, 625-627. [all data]
Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W.,
HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews,
Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]
Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T.,
The effect of roasting method on headspace composition of robusta coffee bean aroma,
Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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