Butanoic acid, 3-methyl-, 3-methylbutyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: XINCECQTMHSORG-UHFFFAOYSA-N
- CAS Registry Number: 659-70-1
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: Isovaleric acid, isopentyl ester; iso-Amyl isovalerate; Apple oil; Isoamyl valerianate; Isopentyl isovalerate; Isopentyl 3-methylbutyrate; Solusterol; 3-Methylbutyl 3-methylbutyrate; Apple essence; 3-methylbutyl 3-methylbutanoate; Isopentyl isopentanoate; 3-Methylbutyl isovalerate; Isoamyl 3-methylbutanoate; Isoamyl 3-methylbutyrate; Isopentyl alcohol, isovalerate; NSC 6565; Isovaleric acid, 3-methylbutyl ester; Isopentyl 3-methylbutanoate
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- Other data available:
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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
|Column length (m)||30.||30.|
|Column diameter (mm)||0.25||0.26|
|Phase thickness (m)||0.25||0.25|
|Program||40C => 2C/min => 60C => 4C/min => 260C||not specified||not specified|
|Reference||Maia, Andrade, et al., 2000||Adams, 1998||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]
Adams, R.P., The essential oils and chemotaxonomy of Juniperus sect. Juniperus, Biochem. Syst. Ecol., 1998, 26, 6, 637-645, https://doi.org/10.1016/S0305-1978(98)00020-9 . [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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