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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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 |
|---|---|---|
| Active phase | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 150. |
| Carrier gas | Helium | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.64 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 40. | 50. |
| Tend (C) | 230. | 170. |
| Heat rate (K/min) | 3. | 1. |
| Initial hold (min) | 2. | 30. |
| Final hold (min) | 5. | 60. |
| I | 1607. | 1600. |
| Reference | Zhao, Xu, et al., 2009 | Buttery, Ling, et al., 1983 |
| Comment | 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.
Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x
. [all data]
Buttery, Ling, et al., 1983
Buttery, R.G.; Ling, L.C.; Teranishi, R.; Mon, T.R.,
Insect attractants: volatiles of hydrolizyed protein insect baits,
J. Agric. Food Chem., 1983, 31, 4, 689-692, https://doi.org/10.1021/jf00118a003
. [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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