- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: KEBDNKNVCHQIJU-UHFFFAOYSA-N
- CAS Registry Number: 589-59-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Butanoic acid, 3-methyl-, 2-methylpropyl ester; Isovaleric acid, isobutyl ester; 2-Methylpropyl isovalerate; 2-Methylpropyl 3-methylbutyrate; Isobutyl 3-methylpropanoate; Isobutyl isopentanoate; Isobutyl 3-methylbutanoate; 2-Methylpropyl 3-methylbutanoate; NSC 6993
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Kovats' RI, non-polar column, custom temperature program
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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
|Active phase||DB-5MS||Apiezon L||SE-30|
|Column length (m)||30.||1.2|
|Substrate||Chromosorb W HMDS HP (00-120 mesh)|
|Column diameter (mm)||0.25|
|Phase thickness (m)||0.25|
|Program||40C => 2C/min => 60C => 4C/min => 260C||not specified||not specified|
|Reference||Maia, Andrade, et al., 2000||Rasmussen, 1983||Chretien and Dubois, 1978|
Go To: Top, Kovats' RI, non-polar column, custom temperature program, Notes
Maia, Andrade, et al., 2000
Maia, J.G.S.; Andrade, E.H.A.; Zoghbi, M.G.B., Volatile constituents of the leaves, fruits and flowers of cashew ( Anacardium occidentaleL.), J. Food Comp. Anal., 2000, 13, 3, 227-232, https://doi.org/10.1006/jfca.2000.0894 . [all data]
Rasmussen, P., Identification of Volatile Components of Jacjfruit by Gas Chromatography / MAss Spectrometry with Two Different Columns, Anal. Chem., 1983, 55, 8, 1331-1335, https://doi.org/10.1021/ac00259a033 . [all data]
Chretien and Dubois, 1978
Chretien, J.R.; Dubois, J-E., Topological Analysis: A Technique for the Physico-Chemical Exploitation of Retention Data in Gas-Liquid Chromatography, J. Chromatogr., 1978, 158, 43-56, https://doi.org/10.1016/S0021-9673(00)89954-9 . [all data]
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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