4-Octenoic acid, methyl ester
- Formula: C9H16O2
- Molecular weight: 156.2221
- IUPAC Standard InChI: InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
- IUPAC Standard InChIKey: SSPBQLGVUAXSMH-AATRIKPKSA-N
- CAS Registry Number: 1732-00-9
- 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. - Stereoisomers:
- Other names: Methyl oct-4-enoate; methyl 4-octenoate
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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, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1115. | Santos, Andrade, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 40C => 2C/min => 60C => 4C/min => 240C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1120. | Fernando and Grün, 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 250. 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.
Santos, Andrade, et al., 1998
Santos, A.S.; Andrade, E.H.A.; Zoghbi, M.G.B.; Maia, J.G.S.,
Volatile constituents of fruits of Annona glabra L. from Brazil,
Flavour Fragr. J., 1998, 13, 3, 148-150, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<148::AID-FFJ711>3.0.CO;2-Y
. [all data]
Fernando and Grün, 2001
Fernando, L.N.; Grün, I.U.,
Headspace-SPME analysis of volatiles of the ridge gourd (Luffa acutangula) and bitter gourd (Momordica charantia) flowers,
Flavour Fragr. J., 2001, 16, 4, 289-293, https://doi.org/10.1002/ffj.999
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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