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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- Other data available:
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Normal alkane RI, 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 | DB-Wax | DB-FFAP | DB-FFAP | Supelcowax-10 | Supelcowax 10 |
| Column length (m) | 60. | 30. | 30. | 50. | 50. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1.0 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min) | 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C | not specified | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
| I | 1129. | 1091. | 1090. | 1101. | 1101. |
| Reference | Kadar, Juan-Borras, et al., 2010 | Mebazaa, Mahmoudi, et al., 2009 | Mebazaa, Mahmoudi, et al., 2009 | Soria, Martinez-Castro, et al., 2009 | Soria, Martinez-Castro, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | Supelcowax 10 | DB-Wax | DB-Wax |
| Column length (m) | 50. | 60. | 60. |
| Carrier gas | Helium | He | Helium |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) | 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
| I | 1101. | 1090. | 1087. |
| Reference | Soria, Martinez-Castro, et al., 2008 | Gyawalia, Seo, et al., 2006 | Kim. J.H., Ahn, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Kadar, Juan-Borras, et al., 2010
Kadar, M.; Juan-Borras, M.; Hellebrandova, M.; Domenech, E.; Escriche, I.,
Volatile fraction composition of Acacia (Robinia pseudoacacia) honey from Romania, Spain, and Check Republic,
Bull. USAMV Agriculture, 2010, 67, 2, 259-265. [all data]
Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V.,
Characterization of volatile compounds in Tunisian fenugreek seeds,
Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066
. [all data]
Soria, Martinez-Castro, et al., 2009
Soria, A.C.; Martinez-Castro, I.; Sanz, J.,
Study of the precision in the purge-and-trap-gas-chromatography-mass-spectrometry analysis of volatile compounds in honey,
J. Chromatogr. A., 2009, 1216, 15, 3300-3304, https://doi.org/10.1016/j.chroma.2009.01.065
. [all data]
Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J.,
Some aspects of dynamic headspace analysis of volatile components in honey,
Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010
. [all data]
Gyawalia, Seo, et al., 2006
Gyawalia, R.; Seo, H.-Y.; Lee, H.-J.; Song, H.-P.; Kim, D.-H.; Byun, M.-W.; Kim, K.-S.,
Effect of γ-irradiation on volatile compounds of dried Welsh onion (Allium fistulosum L.),
Radiat. Phys. Chem., 2006, 75, 2, 322-328, https://doi.org/10.1016/j.radphyschem.2005.07.001
. [all data]
Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W.,
Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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