Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester
- Formula: C10H12O4
- Molecular weight: 196.1999
- IUPAC Standard InChI: InChI=1S/C10H12O4/c1-6-4-7(13-2)5-8(11)9(6)10(12)14-3/h4-5,11H,1-3H3
- IUPAC Standard InChIKey: PFVPJOAAHSOENR-UHFFFAOYSA-N
- CAS Registry Number: 520-43-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Methyl everninate; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate
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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 | DB-5 MS | 1580. | Stojanovic, RAdulovic, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
| Capillary | CP Sil 5 CB | 1546. | Rycroft, Cole, et al., 1999 | 25. m/0.32 mm/0.12 μm, He, 80. C @ 2. min, 5. K/min, 275. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1550. | Figueiredo, Sim-Sim, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min) |
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.
Stojanovic, RAdulovic, et al., 2011
Stojanovic, I.Z.; RAdulovic, N.S.; Mitrovic, Y.L.J.; Stamenkovic, S.M.; Stojanovic, G.S.,
Volatile constituents of selected Parmeliaceae lichens,
J. Serb. Chem. Soc., 2011, 76, 7, 987-994, https://doi.org/10.2298/JSC101004087S
. [all data]
Rycroft, Cole, et al., 1999
Rycroft, D.S.; Cole, W.J.; Aslam, N.; Lamont, Y.M.; Gabriel, R.,
Killarniensolide, methyl orsellinates and 9,10-dihydrophenanthrenes from the liverwort Plagiochila killarniensis from Scotland and the Azores,
Phytochemistry, 1999, 50, 7, 1167-1173, https://doi.org/10.1016/S0031-9422(98)00664-5
. [all data]
Figueiredo, Sim-Sim, et al., 2005
Figueiredo, A.C.; Sim-Sim, M.; Costa, M.M.; Barroso, J.G.; Pedro, L.G.; Esquível, M.G.; Gutierres, F.; Lobo, C.; Fontinha, S.,
Comparison of the essential oil composition of four Plagiochila species: P. bifaria, P. maderensis, P. retrorsa and P. stricta,
Flavour Fragr. J., 2005, 20, 6, 703-709, https://doi.org/10.1002/ffj.1627
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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