Propanoic acid, 2-oxo-, ethyl ester
- Formula: C5H8O3
- Molecular weight: 116.1152
- IUPAC Standard InChI: InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
- IUPAC Standard InChIKey: XXRCUYVCPSWGCC-UHFFFAOYSA-N
- CAS Registry Number: 617-35-6
- 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. - Species with the same structure:
- Other names: Pyruvic acid, ethyl ester; Ethyl pyruvate; Ethyl 2-oxopropanoate; Ethyl 2-oxopropionate
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Van Den Dool and Kratz 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 |
|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 30. | 25. |
| Carrier gas | H2 | H2 | H2 |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.25 |
| Program | 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) | 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) | 40C (8min) => 3C/min => 180C => 20C/min => 230C |
| I | 1242. | 1242. | 1253. |
| Reference | Selli, Canbas, et al., 2006 | Selli, Cabaroglu, et al., 2004 | Boido, Lloret, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Selli, Canbas, et al., 2006
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Gunata, Z.,
Aroma components of cv. Muscat of Bornova wines and influence of skin contact treatment,
Food Chem., 2006, 94, 3, 319-326, https://doi.org/10.1016/j.foodchem.2004.11.019
. [all data]
Selli, Cabaroglu, et al., 2004
Selli, S.; Cabaroglu, T.; Canbas, A.; Erten, H.; Nurgel, C.; Lepoutre, J.P.; Gunata, Z.,
Volatile composition of red wine from cv. Kalecik Karasi grown in central Anatolia,
Food Chem., 2004, 85, 2, 207-213, https://doi.org/10.1016/j.foodchem.2003.06.008
. [all data]
Boido, Lloret, et al., 2003
Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E.,
Aroma composition of Vitis vinifera Cv. Tannat: the typical red wine from Uruguay,
J. Agric. Food Chem., 2003, 51, 18, 5408-5413, https://doi.org/10.1021/jf030087i
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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