2-Butenal, (E)-
- Formula: C4H6O
- Molecular weight: 70.0898
- IUPAC Standard InChI: InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
- IUPAC Standard InChIKey: MLUCVPSAIODCQM-NSCUHMNNSA-N
- CAS Registry Number: 123-73-9
- 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. - Stereoisomers:
- Other names: Crotonaldehyde, (E)-; (E)-Crotonaldehyde; trans-Crotonaldehyde; trans-2-Butenal; Topanel CA; E-Crotonic aldehyde; E-Crotylaldehyde; trans-Crotonal; Aldehyde crotonique; β-Methyl acrolein, trans; NCI-C56279; Rcra waste number U053; Topanel; But-(E)-2-enal; (E)-2-Butenal; (E)-But-2-enal; t-2-Butenal; 2-Butenal, (2E)-; 2-Butenal; Crotonal; Crotonaldehyde
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Normal alkane RI, non-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-5 MS | MDN-5 | SPB-1 | DB-1 | DB-5 |
| Column length (m) | 25. | 30. | 30. | 30. | 60. |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 40. | 40. | 50. | 40. |
| Tend (C) | 250. | 280. | 200. | 200. | 160. |
| Heat rate (K/min) | 10. | 20. | 3. | 4. | 2. |
| Initial hold (min) | 1. | 1. | 10. | 2. | 5. |
| Final hold (min) | 1. | ||||
| I | 658. | 665. | 619. | 624. | 657. |
| Reference | Majcher, Lawrowski, et al., 2010 | Mildner-Szkudlarz, Jelen, et al., 2003 | Vichi, Pizzale, et al., 2003 | Rapior, Breheret, et al., 1997 | Macku and Shibamoto, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Majcher, Lawrowski, et al., 2010
Majcher, M.; Lawrowski, P.; Jelen, H.,
Comparison of original and adulterated oscypek cheese based on volatile and sensory profiles,
Acta Sci. Pol. Technol. Aliment., 2010, 9, 3, 265-275. [all data]
Mildner-Szkudlarz, Jelen, et al., 2003
Mildner-Szkudlarz, S.; Jelen, H.H.; Zawirska-Wojtasiak, R.; Wasowicz, E.,
Application of headspace - solid phase microextraction and multivariate analysis for plant oils differentiation,
Food Chem., 2003, 83, 4, 515-522, https://doi.org/10.1016/S0308-8146(03)00147-X
. [all data]
Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: modifications induced by oxidation and suitable markers of oxidative status,
J. Agric. Food Chem., 2003, 51, 22, 6564-6571, https://doi.org/10.1021/jf030268k
. [all data]
Rapior, Breheret, et al., 1997
Rapior, S.; Breheret, S.; Talou, T.; Bessiére, J.-M.,
Volatile flavor constituents of fresh Marasmius alliaceus (garlic Marasmius),
J. Agric. Food Chem., 1997, 45, 3, 820-825, https://doi.org/10.1021/jf960511y
. [all data]
Macku and Shibamoto, 1991
Macku, C.; Shibamoto, T.,
Headspace volatile compounds formed from heated corn oil and corn oil with glycine,
J. Agric. Food Chem., 1991, 39, 7, 1265-1269, https://doi.org/10.1021/jf00007a014
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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