Decanoic acid, 2-methylbutyl ester

Formula: C₁₅H₃₀O₂
Molecular weight: 242.3975
IUPAC Standard InChI: InChI=1S/C15H30O2/c1-4-6-7-8-9-10-11-12-15(16)17-13-14(3)5-2/h14H,4-13H2,1-3H3
IUPAC Standard InChIKey: JRJPVFOFQVUVLG-UHFFFAOYSA-N
CAS Registry Number: 68067-33-4
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 2-Methylbutyl decanoate
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, custom temperature program

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1655.7	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
Capillary	DB-5	1650.	Gries R., Khaskin G., et al., 2006	30. m/0.32 mm/0.25 μm; Program: not specified

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	ZB-Wax	1858.	Ledauphin, Saint-Clair, et al., 2004	30. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1854.	Ferrari, Lablanquie, et al., 2004	60. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1647.	Demyttenaere, Sánchez Martínez, et al., 2003	30. m/0.25 mm/0.25 μm, He; Program: 35C => 5C/min => 220C => 10C/min => 240C(5min)

References

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Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Gries R., Khaskin G., et al., 2006
Gries R.; Khaskin G.; Tan Z.X.; Zhao B.G.; King G.G.S.; Miroshnychenko A.; Lin G.Q.; Rhainds M.; Gries G., (1S)-1-ethyl-2-methylpropyl 3,13-dimethylpentadecanoate: Major sex pheromone component of Paulownia bagworm, Clania variegata, J. Chem. Ecol., 2006, 32, 8, 1673-1685, https://doi.org/10.1007/s10886-006-9101-4 . [all data]

Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D., Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry, J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y . [all data]

Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E., Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation, J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d . [all data]

Demyttenaere, Sánchez Martínez, et al., 2003
Demyttenaere, J.C.R.; Sánchez Martínez, J.I.; Verhé, R.; Sandra, P.; de Kimpe, N., Analysis of volatiles of malt whisky by solid-phase microextraction and stir bar sorptive extraction, J. Chromatogr. A, 2003, 985, 1-2, 221-232, https://doi.org/10.1016/S0021-9673(02)01471-1 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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