Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester
- Formula: C13H22O3
- Molecular weight: 226.3120
- IUPAC Standard InChI: InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
- IUPAC Standard InChIKey: KVWWIYGFBYDJQC-UHFFFAOYSA-N
- CAS Registry Number: 24851-98-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: Methyl (3-oxo-2-pentylcyclopentyl)acetate; Hedione; Kharismal; Methyl (2-pentyl-3-oxocyclopentyl)acetate; Methyl dihydrojasmonate; Methyl hydrojasmonate; methyl 3-oxo-2-pentylcyclopentaneacetate
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- Other data available:
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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 | HP-Innowax | DB-FFAP | Carbowax 20M |
| Column length (m) | 30. | 30. | 60. | 30. | |
| Carrier gas | Helium | Helium | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | not specified | not specified | not specified | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min=230C(10min) | not specified |
| I | 2262. | 2276. | 2241. | 2265. | 2229. |
| Reference | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Feng, Zhuang, et al., 2011 | Buettner and Mestres, 2005 | Vinogradov, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | 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]
Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z.,
Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose,
Sensors and Actuators B: Chemical, 2011, 160, 1, 964-973, https://doi.org/10.1016/j.snb.2011.09.013
. [all data]
Buettner and Mestres, 2005
Buettner, A.; Mestres, M.,
Investigation of the retronasal perception of strawberry aroma aftersmell depending on matrix composition,
J. Agric. Food Chem., 2005, 53, 5, 1661-1669, https://doi.org/10.1021/jf048502+
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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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