Pentanoic acid, 4-oxo-, ethyl ester
- Formula: C7H12O3
- Molecular weight: 144.1684
- 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, 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 | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | not specified | 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) | not specified |
I | 1607. | 1614. | 1607. | 1602. | 1567. |
Reference | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Zhao, Xu, et al., 2009 | Tian, Zhang, et al., 2007 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Nukol |
Column length (m) | 25. |
Carrier gas | N2 |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | |
Program | 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) |
I | 1601. |
Reference | López and Dufour, 2001 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002
. [all data]
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]
Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J.,
Research advances on the essential oils from leaves of Eucalyptus,
Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
López and Dufour, 2001
López, M.G.; Dufour, J.P.,
Chapter 6. Tequilas: charm analysis of Blanco, Teposado, and Anejo tequilas,
Am. Chem. Soc. Symp. Ser., 2001, 782, 62-72. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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