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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Van Den Dool and Kratz 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 52CB | Supelcowax-10 | Supelcowax-10 | EC-WAX | DB-Wax |
| Column length (m) | 50. | 60. | 60. | 30. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | |
| Tstart (C) | 60. | 35. | 35. | 40. | 40. |
| Tend (C) | 220. | 195. | 195. | 250. | 250. |
| Heat rate (K/min) | 4. | 2. | 2. | 5. | 4. |
| Initial hold (min) | 5. | 5. | 5. | 2. | 2. |
| Final hold (min) | 30. | 90. | 90. | 10. | 10. |
| I | 1189. | 1202. | 1202. | 1215. | 1212. |
| Reference | Mahadevan and Farmer, 2006 | Chung, Yung, et al., 2002 | Chung, Yung, et al., 2001 | le Guen, Prost, et al., 2001 | Le Guen, Prost, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Supelcowax-10 | FFAP | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 30. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.53 | 0.53 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 1. | 1. |
| Tstart (C) | 40. | 35. | 20. | 20. | 20. |
| Tend (C) | 250. | 195. | 200. | 200. | 200. |
| Heat rate (K/min) | 4. | 2. | 4. | 4. | 4. |
| Initial hold (min) | 2. | 5. | 1. | 5. | 5. |
| Final hold (min) | 10. | 90. | 1. | 10. | 10. |
| I | 1215. | 1200. | 1230. | 1221. | 1222. |
| Reference | Le Guen, Prost, et al., 2000 | Chung, 1999 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-Wax |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.53 |
| Phase thickness (μm) | 1. |
| Tstart (C) | 20. |
| Tend (C) | 200. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 5. |
| Final hold (min) | 10. |
| I | 1220.5 |
| Reference | Ott, Fay, et al., 1997 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x
. [all data]
Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S.,
Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry,
Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7
. [all data]
Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S.,
Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods,
J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a
. [all data]
le Guen, Prost, et al., 2001
le Guen, S.; Prost, C.; Demaimay, M.,
Evaluation of the representativeness of the odor of cooked mussel extracts and the relationship between sensory descriptors and potent odorants,
J. Agric. Food Chem., 2001, 49, 3, 1321-1327, https://doi.org/10.1021/jf000781n
. [all data]
Le Guen, Prost, et al., 2000
Le Guen, S.; Prost, C.; Demaimay, M.,
Characterization of odorant compounds of mussels (Mytilus edulis) according to their origin using gas chromatography-olfactometry and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2000, 896, 1-2, 361-371, https://doi.org/10.1016/S0021-9673(00)00729-9
. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t
. [all data]
Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A.,
Determination and origin of the aroma impact compounds of yogurt flavor,
J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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