Pentanoic acid, 4-oxo-, ethyl ester
- Formula: C7H12O3
- Molecular weight: 144.1684
- IUPAC Standard InChI: InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
- IUPAC Standard InChIKey: GMEONFUTDYJSNV-UHFFFAOYSA-N
- CAS Registry Number: 539-88-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Levulinic acid, ethyl ester; Ethyl laevulinate; Ethyl levulate; Ethyl levulinate; Ethyl 3-acetylpropionate; Ethyl 4-ketovalerate; Ethyl 4-oxopentanoate; Ethyl 4-oxovalerate; Ethyl ketovalerate; 4-Oxopentanoic acid ethyl ester; NSC 24876
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Van Den Dool and Kratz 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 |
|---|---|---|
| Active phase | ZB-Wax | DB-Wax |
| Column length (m) | 30. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.15 | 0.25 |
| Tstart (C) | 35. | 50. |
| Tend (C) | 220. | 190. |
| Heat rate (K/min) | 5. | 6. |
| Initial hold (min) | 5. | |
| Final hold (min) | 10. | |
| I | 1607. | 1610. |
| Reference | Ledauphin, Saint-Clair, et al., 2004 | Shu and Lawrence, 1995 |
| Comment | MSDC-RI | 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.
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Shu and Lawrence, 1995
Shu, C.-K.; Lawrence, B.M.,
Formation of 4-alkoxy-γ-valerolactones from levulinic acid and alcohols during storage at room temperature,
J. Agric. Food Chem., 1995, 43, 3, 782-784, https://doi.org/10.1021/jf00051a041
. [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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