2-Butenal, 3-methyl-
- Formula: C5H8O
- Molecular weight: 84.1164
- IUPAC Standard InChI: InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
- IUPAC Standard InChIKey: SEPQTYODOKLVSB-UHFFFAOYSA-N
- CAS Registry Number: 107-86-8
- 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: Crotonaldehyde, 3-methyl-; β-Methylcrotonaldehyde; β,β-Dimethylacrolein; Prenal; Senecialdehyde; Senecioaldehyde; 3-Methyl-2-butenal; 3-Methylcrotonaldehyde; 3,3-Dimethylacrolein; 3-Methylbut-2-enal; 3-Methyl-2-butenaldehyde; NSC 149164; β,β-Dimethylacrylic aldehyde; 3-methyl-2-butenal (prenal)
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Normal alkane RI, polar column, temperature ramp
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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 |
|---|---|---|---|
| Active phase | DB-Wax | RTX-Wax | DB-Wax |
| Column length (m) | 15. | 60. | 60. |
| Carrier gas | He | He | H2 |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 40. | 40. | 60. |
| Tend (C) | 230. | 180. | 220. |
| Heat rate (K/min) | 6. | 5. | 3. |
| Initial hold (min) | 5. | ||
| Final hold (min) | 20. | 20. | |
| I | 1199. | 1233. | 1206. |
| Reference | Kishimoto, Wanikawa, et al., 2006 | Galindo-Cuspinera, Lubran, et al., 2002 | Werkhoff, Güntert, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | 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.
Kishimoto, Wanikawa, et al., 2006
Kishimoto, T.; Wanikawa, A.; Kono, K.; Shibata, K.,
Comparison of the Odor-Active Compounds in Unhopped Beer and Beers Hopped with Different Hop Varieties,
J. Agric. Food Chem., 2006, 54, 23, 8855-8861, https://doi.org/10.1021/jf061342c
. [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]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [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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