Hexanoic acid, 5-methyl-, methyl ester
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-7(2)5-4-6-8(9)10-3/h7H,4-6H2,1-3H3
- IUPAC Standard InChIKey: VMHVFMBDCWCBHO-UHFFFAOYSA-N
- CAS Registry Number: 2177-83-5
- 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 5-methylhexanoate; Methyl isoheptanoate; Methyl 5-methylcaproate; methyl isohexanoate
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 963. | Eri, Khoo, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX5 | 993. | Dickschat, Bode, et al., 2005 | 25. m/0.22 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G.,
Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization,
J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850
. [all data]
Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Wenzel, S.C.; Muller, R.; Schulz, S.,
Biosinthesis and Identification of Volatiles Released by the Myxobacterium Stigmatella aurantiaca,
ChemBioChem, 2005, 6, 11, 2023-2033, https://doi.org/10.1002/cbic.200500174
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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