Propanoic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl ester
- Formula: C12H24O3
- Molecular weight: 216.3172
- IUPAC Standard InChI: InChI=1S/C12H24O3/c1-5-7-11(13)10(6-2)8-15-12(14)9(3)4/h9-11,13H,5-8H2,1-4H3
- IUPAC Standard InChIKey: QQRIGCXMIPFTKR-UHFFFAOYSA-N
- CAS Registry Number: 74367-31-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Ethyl-3-hydroxyhexyl 2-methylpropanoate
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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 | DB-5 | 1373. | Gómez, Ledbetter, et al., 1993 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1373. | Gomez and Ledbetter, 1994 | Helium, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1375. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
| Capillary | HP-5 | 1373. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L.,
Volatile compounds in apricot, plum, and their interspecific hybrids,
J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029
. [all data]
Gomez and Ledbetter, 1994
Gomez, E.; Ledbetter, C.A.,
Comparative study of the aromatic profiles of two different plum species: Prunus salicina Lindl and Prunus simonii L.,
J. Sci. Food Agric., 1994, 65, 1, 111-115, https://doi.org/10.1002/jsfa.2740650116
. [all data]
Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G.,
EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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