Methyl salicylate
- Formula: C8H8O3
- Molecular weight: 152.1473
- IUPAC Standard InChI: InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
- IUPAC Standard InChIKey: OSWPMRLSEDHDFF-UHFFFAOYSA-N
- CAS Registry Number: 119-36-8
- 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, 2-hydroxy-, methyl ester; Salicylic acid, methyl ester; O-Hydroxybenzoic acid, methyl ester; Analgit; Betula; Betula oil; Betula Lenta; Exagien; Flucarmit; Gaultheria oil; Gaultheria oil, artificial; Gaultheriaoel; Methyl o-hydroxybenzoate; Methyl 2-hydroxybenzoate; Oil of Wintergreen; Spicewood oil; Sweet birch oil; Teaberry oil; Wintergreen oil; Wintergruenoel; 2-(Methoxycarbonyl)phenol; 2-Hydroxybenzoic acid, methyl ester; Natural wintergreen oil; Synthetic wintergreen oil; Wintergreen oil, synthetic; Methyl ester of 2-hydroxy-benzoic acid; 2-Carbomethoxyphenol; NSC 8204; Salonpas; Theragesic; 8022-86-4; 648434-07-5; 8024-54-2; 2-Hydroxy methyl ester benzoic acid; Methyl ester 2-hydroxy-benzoic acid
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Kovats' RI, non-polar column, custom temperature program
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | BP-1 | SPB-1 | OV-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 15. | |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.317 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 40C(3min) => 3C/min => 160C => 10C/min => 200C | 60C => 5C/min => 220C (5min) => 3C/min => 245C(5min) | 40C(3min) => 2C/min => 100C => 4C/min => 220C (7min) | 50C(4min) => (4C/min) => 90C => (10C/min)=300C(10min) | not specified |
| I | 1197. | 1179. | 1180. | 1166. | 1234. |
| Reference | Alissandrakis E., Tarantilis P.A., et al., 2007 | Khan, Verma, et al., 2006 | Borse, Jagan Mohan Rao, et al., 2002 | El-Shazly, Dorai, et al., 2002 | Dickens J.C., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5MS | DB-1 |
| Column length (m) | 30. | |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | |
| Phase thickness (μm) | 0.25 | |
| Program | 40C => 2C/min => 60C => 4C/min => 260C | not specified |
| I | 1191. | 1163. |
| Reference | Maia, Andrade, et al., 2000 | Jenett-Siems, Schimming, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Alissandrakis E., Tarantilis P.A., et al., 2007
Alissandrakis E.; Tarantilis P.A.; Harizanis P.C.; Polissiou M.,
Comparison of the volatile composition in thyme honeys from several origins in Greece,
J. Agric. Food Chem., 2007, 55, 20, 8152-8157, https://doi.org/10.1021/jf071442y
. [all data]
Khan, Verma, et al., 2006
Khan, M.; Verma, S.C.; Srivastava, S.K.; Shawl, A.S.; Syamsundar, K.V.; Khanuja, S.P.S.; Kumar, T.,
Essential oil composition of Taxus wallichiana Zucc. from the Northern Himalayan region of India,
Flavour Fragr. J., 2006, 21, 5, 772-775, https://doi.org/10.1002/ffj.1682
. [all data]
Borse, Jagan Mohan Rao, et al., 2002
Borse, B.B.; Jagan Mohan Rao, L.; Nagalakshmi, S.; Krishnamurthy, N.,
Fingerprint of black teas from India: identification of the regio-specific characteristics,
Food Chem., 2002, 79, 4, 419-424, https://doi.org/10.1016/S0308-8146(02)00191-7
. [all data]
El-Shazly, Dorai, et al., 2002
El-Shazly, A.; Dorai, G.; Wink, M.,
Chemical composition and biological activity of the essential oils of Senecio aegyptus var. discoideus Boiss.,
Z. Naturforsch., 2002, 57c, 434-439. [all data]
Dickens J.C., 2000
Dickens J.C.,
Sexual maturation and temporal variation of neural responses in adult Colorado potato beetles to volatiles emitted by potato plants,
J. Chem. Ecol., 2000, 26, 5, 1265-1279, https://doi.org/10.1023/A:1005492229377
. [all data]
Maia, Andrade, et al., 2000
Maia, J.G.S.; Andrade, E.H.A.; Zoghbi, M.G.B.,
Volatile constituents of the leaves, fruits and flowers of cashew ( Anacardium occidentaleL.),
J. Food Comp. Anal., 2000, 13, 3, 227-232, https://doi.org/10.1006/jfca.2000.0894
. [all data]
Jenett-Siems, Schimming, et al., 1998
Jenett-Siems, K.; Schimming, T.; Kaloga, M.; Eich, E.; Siems, K.; Gupta, M.P.; Witte, L.; Hartmann, T.,
Pyrrolizidine alkaloids of Ipomoea hederifolia and related species,
Phytochemistry, 1998, 47, 8, 1551-1560, https://doi.org/10.1016/S0031-9422(97)01082-0
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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