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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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary |
|---|---|
| Active phase | BPX-5 |
| Column length (m) | 50. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.22 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 60. |
| Tend (C) | 340. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 8. |
| Final hold (min) | |
| I | 1187. |
| Reference | Wilkes, Kühner, et al., 2003 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
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
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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