- 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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Van Den Dool and Kratz 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||5 % Phenyl methyl siloxane||HP-5||DB-1|
|Column length (m)||30.||30.||60.|
|Column diameter (mm)||0.19||0.25||0.25|
|Phase thickness (m)||0.25||0.25|
|Program||20C => 5C/min => 120C => 10C/min => 280C||50C => 6C/min => 100C => 4C/min => 280C||-20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C|
|Reference||Zaikin, 2007||Isidorov, Krajewska, et al., 2001||Eri, Khoo, et al., 2000|
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Zaikin, V.G., Personal Communication: Retention indices measured during the period 2006 to 2007 (I), 2007. [all data]
Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [all data]
Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G., Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization, J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850 . [all data]
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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