2-Butenal, 2-methyl-
- Formula: C5H8O
- Molecular weight: 84.1164
- IUPAC Standard InChI: InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3
- IUPAC Standard InChIKey: ACWQBUSCFPJUPN-UHFFFAOYSA-N
- CAS Registry Number: 1115-11-3
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Crotonaldehyde, 2-methyl-; 2-Methyl-2-butenal; 2-Methylcrotonaldehyde; 2,3-Dimethylacrolein; 2-Methylbut-2-enal
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- Information on this page:
- Other data available:
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Normal alkane 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 | CP Wax 52 CB | HP-Innowax | ZB-Wax | Carbowax 20M | DB-Wax |
| Column length (m) | 30. | 50. | 60. | 50. | 60. |
| Carrier gas | Helium | Helium | He | Helium | Nitrogen |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.20 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.20 | 0.5 | 0.25 | 0.50 |
| Tstart (C) | 40. | 45. | 40. | 40. | 35. |
| Tend (C) | 230. | 190. | 250. | 190. | 235. |
| Heat rate (K/min) | 4. | 4. | 3. | 4. | 2. |
| Initial hold (min) | 2. | 2. | 2. | 2. | 4. |
| Final hold (min) | 15. | 50. | 10. | 30. | 30. |
| I | 1095. | 1101. | 1109. | 1093. | 1119. |
| Reference | Birtic, Ginies, et al., 2009 | Soria, Sanz, et al., 2008 | Wierda R.L., Fletcher G., et al., 2006 | de la Fuente, Martinez-Castro, et al., 2005 | Qian and Wang, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | TC-Wax | HP-Innowax | RTX-Wax | HP-FFAP |
| Column length (m) | 15. | 60. | 50. | 60. | 25. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.32 |
| Phase thickness (μm) | 1. | 0.5 | 0.2 | 0.5 | 0.52 |
| Tstart (C) | 45. | 40. | 45. | 40. | 60. |
| Tend (C) | 210. | 230. | 190. | 180. | 240. |
| Heat rate (K/min) | 10. | 3. | 4. | 5. | 5. |
| Initial hold (min) | 5. | 8. | 2. | 5. | 1. |
| Final hold (min) | 5. | 50. | 20. | 5. | |
| I | 1085. | 1104. | 1084. | 1108. | 1073. |
| Reference | Wijaya, Ulrich, et al., 2005 | Ishikawa, Ito, et al., 2004 | Soria, Gonzalez, et al., 2004 | Galindo-Cuspinera, Lubran, et al., 2002 | Qian and Reineccius, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Wax | HP-Wax | HP-Wax | Supelcowax-10 | DB-Wax |
| Column length (m) | 60. | 60. | 60. | 90. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 35. | 50. |
| Tend (C) | 190. | 190. | 190. | 220. | 230. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 2. |
| Initial hold (min) | 6. | 6. | 6. | 20. | 4. |
| Final hold (min) | 30. | ||||
| I | 1102. | 1102. | 1102. | 1114. | 1093. |
| Reference | Sanz, Maeztu, et al., 2002 | Maeztu, Sanz, et al., 2001 | Sanz, Ansorena, et al., 2001 | Girard and Lau, 1995 | Shimoda, Shiratsuchi, et al., 1993 |
| 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) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 60. |
| Tend (C) | 180. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 4. |
| Final hold (min) | |
| I | 1073. |
| Reference | Kawakami and Kobayashi, 1991 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Birtic, Ginies, et al., 2009
Birtic, S.; Ginies, C.; Causse, M.; Renard, C.M.G.C.; Page, D.,
Changes in volatiles and glycosides during fruit maturartion of two contrasted tomato (Solanum lycopersicum) lines,
J. Agric. Food Chem., 2009, 57, 2, 591-598, https://doi.org/10.1021/jf8023062
. [all data]
Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I.,
SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles,
Eur. Food Res. Technol., 2008, 1-12. [all data]
Wierda R.L., Fletcher G., et al., 2006
Wierda R.L.; Fletcher G.; Xu L.; Dufour J.P.,
Analysis of volatile compounds as spoilage indicators in fresh king salmon (Oncorhynchus tshawytscha) during storage using SPME-GC-MS,
J. Agric. Food Chem., 2006, 54, 22, 8480-8490, https://doi.org/10.1021/jf061377c
. [all data]
de la Fuente, Martinez-Castro, et al., 2005
de la Fuente, E.; Martinez-Castro, I.; Sanz, J.,
Characterization of Spanish unifloral honeys by solid phase microextraction and gas chromatography-mass spectrometry,
J. Sep. Sci., 2005, 28, 9-10, 1093-1100, https://doi.org/10.1002/jssc.200500018
. [all data]
Qian and Wang, 2005
Qian, M.C.; Wang, Y.,
Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x
. [all data]
Wijaya, Ulrich, et al., 2005
Wijaya, C.H.; Ulrich, D.; Lestari, R.; Schippel, K.; Ebert, G.,
Identification of potent odorants in different cultivars of snake fruit [Salacca zalacca (Gaert.) Voss] using gas chromatography-olfactometry,
J. Agric. Food Chem., 2005, 53, 5, 1637-1641, https://doi.org/10.1021/jf048950h
. [all data]
Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A.,
Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles,
Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322
. [all data]
Soria, Gonzalez, et al., 2004
Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J.,
Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data,
Food Chem., 2004, 85, 1, 121-130, https://doi.org/10.1016/j.foodchem.2003.06.012
. [all data]
Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A.,
Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts,
J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h
. [all data]
Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1
. [all data]
Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C.,
Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar,
J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110
. [all data]
Maeztu, Sanz, et al., 2001
Maeztu, L.; Sanz, C.; Andueza, S.; de Peña, M.P.; Bello, J.; Cid, C.,
Characterization of espresso coffee aroma by static headspace GC-MS and sensory flavor profile,
J. Agric. Food Chem., 2001, 49, 11, 5437-5444, https://doi.org/10.1021/jf0107959
. [all data]
Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C.,
Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee,
J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r
. [all data]
Girard and Lau, 1995
Girard, B.; Lau, O.L.,
Effect of maturity and storage on quality and volatile production of 'Jonagold' apples,
Food Res. Int., 1995, 28, 5, 465-471, https://doi.org/10.1016/0963-9969(96)81393-7
. [all data]
Shimoda, Shiratsuchi, et al., 1993
Shimoda, M.; Shiratsuchi, H.; Minegishi, Y.; Osajima, Y.,
Flavor deterioration of nonfermented coarse-cut sausage during storage. Flavor as a factor of quality for nonfermented sausage. 2,
J. Agric. Food Chem., 1993, 41, 6, 946-950, https://doi.org/10.1021/jf00030a021
. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016
. [all data]
Notes
Go To: Top, Normal alkane 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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