Heptanoic acid, 2-methyl-, methyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI: InChI=1S/C9H18O2/c1-4-5-6-7-8(2)9(10)11-3/h8H,4-7H2,1-3H3
- IUPAC Standard InChIKey: FUZYFWJHBYRPIP-UHFFFAOYSA-N
- CAS Registry Number: 51209-78-0
- 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 2-methylheptanoate; Methyl ester of 2-methylheptanoic acid; 2-Methylheptanoic 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1067. | 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.
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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