2-Ethylbutyric acid, hexyl ester
- Formula: C12H24O2
- Molecular weight: 200.3178
- IUPAC Standard InChI: InChI=1S/C12H24O2/c1-4-7-8-9-10-14-12(13)11(5-2)6-3/h11H,4-10H2,1-3H3
- IUPAC Standard InChIKey: SXIUQXQCWYCRQZ-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Hexyl 2-ethylbutanoate; Hexyl 2-ethylbutyrate
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1262. | Zaikin, 2010 | 30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1288. | Zaikin, 2007 | Column length: 30. m; Column diameter: 0.19 mm; Program: 20C => 5C/min => 120C => 10C/min => 280C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1273. | Du and Feng, 2008 | Program: not specified |
| Capillary | SE-30 | 1273. | Liu, Liang, et al., 2007 | Program: not specified |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zaikin, 2010
Zaikin, V.G.,
Personal communication: Retention indices measured during 2010, 2010. [all data]
Zaikin, 2007
Zaikin, V.G.,
Personal Communication: Retention indices measured during the period 2006 to 2007 (I), 2007. [all data]
Du and Feng, 2008
Du, X.; Feng, C.,
Correlativity research between topological dyeing index and gas chromatography retention index of fatty esters,
J. Petrochem. Univ. (Chinese), 2008, 21, 1, 16-20. [all data]
Liu, Liang, et al., 2007
Liu, F.; Liang, Y.; Cao, C.; Zhou, N.,
QSPR study of GC retention indices for saturated esters on seven stationary phases based on novel topological indices,
Talanta, 2007, 72, 4, 1307-1315, https://doi.org/10.1016/j.talanta.2007.01.038
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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