2(5H)-Furanone, 3-methyl-
- Formula: C5H6O2
- Molecular weight: 98.0999
- IUPAC Standard InChIKey: VGHBEMPMIVEGJP-UHFFFAOYSA-N
- CAS Registry Number: 22122-36-7
- 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: α-Methyl-γ-crotonolactone; 2-Methyl-2-butenolide; 3-Methyl-2(5H)-furanone; 2-Methyl-2-buten-4-olide; 3-Methyl-5(2H)furanone
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- Other data available:
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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 | SLB-5 MS | SLB-5 MS | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | ZB-5 |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | not specified | not specified | 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) |
I | 982. | 983. | 986. | 989. | 979. |
Reference | Mondello, 2012 | Mondello, 2012 | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | de Simon, Estruelas, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | BP-5 | DB-5 |
Column length (m) | 30. | 50. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 0.25 |
Program | 40C(2min) => 4C/min => 150C => 8C/min => 250C (15min) | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
I | 977. | 983. |
Reference | Helsper, Bücking, et al., 2006 | Mateo and Zumalacárregui, 1996 |
Comment | 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.
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h
. [all data]
Helsper, Bücking, et al., 2006
Helsper, J.P.F.G.; Bücking, M.; Muresan, S.; Blaas, J.; Wietsma, W.A.,
Identification of the volatile component(s) causing the characteristic foxy odor in various cultivars of Fritillaria imperialis L. (Liliaceae),
J. Agric. Food Chem., 2006, 54, 14, 5087-5091, https://doi.org/10.1021/jf0605594
. [all data]
Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M.,
Volatile compounds in chorizo and their changes during ripening,
Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9
. [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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