Benzoic acid, 3-hydroxy-, methyl ester
- Formula: C8H8O3
- Molecular weight: 152.1473
- IUPAC Standard InChI: InChI=1S/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3
- IUPAC Standard InChIKey: YKUCHDXIBAQWSF-UHFFFAOYSA-N
- CAS Registry Number: 19438-10-9
- 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. - Other names: Benzoic acid, m-hydroxy-, methyl ester; m-Carbomethoxyphenol; m-Hydroxybenzoic acid methyl ester; Methyl m-hydroxybenzoate; Methyl m-oxybenzoate; Methyl 3-hydroxybenzoate; 3-Hydroxybenzoic acid methyl ester; 3-HO-C6H4-COOCH3; NSC 40536; 3-(Methoxycarbonyl)phenol
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chuck Anderson, Aldrich Chemical Co. |
| NIST MS number | 117834 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
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, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-1 | 150. | 1389. | Fedoreev and Maksimov, 1977 | Gaschrom; Column length: 1.5 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1415. | Tan, Wilkins, et al., 1989 | H2, 40. C @ 2. min, 4. K/min, 240. C @ 75. min; Column length: 12. m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1384. | Jayasekara, Stevenson, et al., 2002 | He, 60. C @ 2. min, 6. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tend: 230. C |
| Capillary | HP-101 | 1365. | Milso, Mastelic, et al., 1998 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1429. | Rowland, Blackman, et al., 1995 | 25. m/0.25 mm/0.25 μm; Program: 30 0C (4 min) 6 K/min -> 200 0C 15 K/min -> 250 0C (20 min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 2012. | Milso, Mastelic, et al., 1998 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fedoreev and Maksimov, 1977
Fedoreev, S.A.; Maksimov, O.B.,
The study of the composition of aromatic esters by gas-liquid chromatography,
Solid Fuel Chem. (Engl. Transl.), 1977, 17-22. [all data]
Tan, Wilkins, et al., 1989
Tan, S.T.; Wilkins, A.L.; Holland, P.T.; McGhie, T.K.,
Extractives from New Zealand unifloral honeys. 2. Degraded carotenoids and other substances from heather honey,
J. Agric. Food Chem., 1989, 37, 5, 1217-1221, https://doi.org/10.1021/jf00089a004
. [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]
Milso, Mastelic, et al., 1998
Milso, M.; Mastelic, J.; Radonic, A.,
Free and glycosidically bound volatile compounds from cypress cones (Cupressus Sempervirens L.),
Croat. Chem. Acta, 1998, 71, 1, 139-145. [all data]
Rowland, Blackman, et al., 1995
Rowland, C.Y.; Blackman, A.J.; D'Arcy, B.R.; Rintoul, G.B.,
Comparison of organic extractives found in leatherwood (Eucryphia lucida) honey and leatherwood flowers and leaves,
J. Agric. Food Chem., 1995, 43, 3, 753-763, https://doi.org/10.1021/jf00051a036
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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