Octanoic acid, 4-methyl-, methyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI: InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-10(11)12-3/h9H,4-8H2,1-3H3
- IUPAC Standard InChIKey: MGQFXJXUQLOUMY-UHFFFAOYSA-N
- CAS Registry Number: 15870-07-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Methyl 4-methyloctanoate; 4-Methyloctanoic acid methyl ester; 3-Methyl-heptanecarboxylic acid methyl ester
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Gas Chromatography
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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
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax | 100. | 1463. | Schomburg, 1967 | Ar |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1187. | Wilkes, Kühner, et al., 2003 | 50. m/0.22 mm/0.25 μm, He, 60. C @ 8. min, 3. K/min; Tend: 340. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Schomburg, 1967
Schomburg, G.,
Struktur und Retentionsverhalten von Offenkettigen und Cyclischen Kohlenwasserstoffen und Deren Einfacher Substitutionsprodukte,
Anal. Chim. Acta., 1967, 38, 45-64, https://doi.org/10.1016/S0003-2670(01)80560-2
. [all data]
Wilkes, Kühner, et al., 2003
Wilkes, H.; Kühner, S.; Bolm, C.; Fischer, T.; Classen, A.; Widdel, F.; Rabus, R.,
Formation of n-alkane- and cycloalkane-derived organic acids during anaerobic growth of a denitrifying bacterium with crude oil,
Org. Geochem., 2003, 34, 9, 1313-1323, https://doi.org/10.1016/S0146-6380(03)00099-8
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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