Methyl 4-methoxysalicylate

Formula: C₉H₁₀O₄
Molecular weight: 182.1733
IUPAC Standard InChI: InChI=1S/C9H10O4/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,10H,1-2H3
IUPAC Standard InChIKey: ZICRWXFGZCVTBZ-UHFFFAOYSA-N
CAS Registry Number: 5446-02-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Benzoic acid, 2-hydroxy-4-methoxy-, methyl ester; Methyl 2-hydroxy-4-methoxybenzoate
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Other data available:
- IR Spectrum
- Mass spectrum (electron ionization)
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Gas Chromatography

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	VF-5MS	1490.8	Tret'yakov, 2008	30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1439.	Radulovic, Dordevic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; T_start: 70. C
Capillary	CP Sil 5 CB	1426.	Jayasekara, Stevenson, et al., 2002	He, 60. C @ 2. min, 6. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_end: 230. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CB-1	1400.	Kannaste, Vongvanich, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	2217.	Jayasekara, Stevenson, et al., 2002	He, 60. C @ 2. min, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; T_end: 230. C

References

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Tret'yakov, 2008
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [all data]

Jayasekara, Stevenson, et al., 2002
Jayasekara, T.K.; Stevenson, P.C.; Belmain, S.R.; Farman, D.I.; Hall, D.R., Identification of methyl salicylate as the principal volatile component in the methanol extract of root bark of Securidaca longepedunculata Fers, J. Mass Spectrom., 2002, 37, 6, 577-580, https://doi.org/10.1002/jms.314 . [all data]

Kannaste, Vongvanich, et al., 2008
Kannaste, A.; Vongvanich, N.; Borg-Karlson, A.-K., Infestation by a Nalepella species induces emissions of alpha- and beta-farnesenes, (-)-linalool and aromatic compounds in Norway spruce clones of different susceptibility to the large pine weevil, Anthropod-Plant Interactions, 2008, 2, 1, 31-41, https://doi.org/10.1007/s11829-008-9029-4 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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