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, non-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-1 | DB-1 | DB-5 |
| Column length (m) | 60. | 60. | 30. |
| Carrier gas | Hydrogen | ||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.35 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 |
| Tstart (C) | 50. | 50. | 45. |
| Tend (C) | 250. | 250. | 220. |
| Heat rate (K/min) | 4. | 4. | 2. |
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 1023. | 1024. | 1070. |
| Reference | Flath, Matsumoto, et al., 1989 | Flath, Matsumoto, et al., 1989 | Georgilopoulos and Gallois, 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Flath, Matsumoto, et al., 1989
Flath, R.A.; Matsumoto, K.E.; Binder, R.G.; Cunningham, R.T.; Mon, T.R.,
Effect of pH on the volatiles of hydrolyzed protein insect baits,
J. Agric. Food Chem., 1989, 37, 3, 814-819, https://doi.org/10.1021/jf00087a053
. [all data]
Georgilopoulos and Gallois, 1988
Georgilopoulos, D.N.; Gallois, A.N.,
Flavour compounds of a commercial concentrated blackberry juice,
Food Chem., 1988, 28, 2, 141-148, https://doi.org/10.1016/0308-8146(88)90143-4
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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