n-Caprylic acid isobutyl ester
- Formula: C12H24O2
- Molecular weight: 200.3178
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: CFQRBRGFNFRMBD-UHFFFAOYSA-N
- CAS Registry Number: 5461-06-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Octanoic acid, 2-methylpropyl ester; iso-Butyl caprylate; Octanoic acid, isobutyl ester; iso-Butyl n-octanoate; Isobutyl octanoate; 2-Methylpropyl octanoate
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Normal alkane RI, non-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
|Active phase||Polydimethyl siloxane with 5 % Ph groups||Polydimethyl siloxane with 5 % Ph groups||BPX-5||BPX-5||SE-30|
|Column length (m)||30.||30.|
|Column diameter (mm)||0.25||0.25|
|Phase thickness (m)||0.25||0.25|
|Program||not specified||not specified||35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)||not specified||not specified|
|Reference||Robinson, Adams, et al., 2012||Robinson, Adams, et al., 2012||se Souza, Cardeal, et al., 2009||se Souza, Cardeal, et al., 2009||Vinogradov, 2004|
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]
se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J., Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways, J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061 . [all data]
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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