Methyl salicylate
- Formula: C8H8O3
- Molecular weight: 152.1473
- 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, temperature ramp
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 | CP Sil 8 CB | DB-5 | DB-5 | DB-5 | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 50. | 40. | 50. | 50. | 70. |
Tend (C) | 220. | 230. | 250. | 235. | 250. |
Heat rate (K/min) | 3. | 8. | 3. | 15. | 3. |
Initial hold (min) | 2. | 5. | 2. | 5. | |
Final hold (min) | 4. | 2. | |||
I | 1176. | 1198.8 | 1198. | 1234. | 1187. |
Reference | Tayoub, Schwob, et al., 2006 | Ament K., Kant M.R., et al., 2004 | Tzakou, Harvala, et al., 2000 | Dickens, 1999 | Siani, Ramos, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | SF96+Igepal | OV-101 | OV-101 |
Column length (m) | 30. | 60. | 127. | 70. | 70. |
Carrier gas | He | He | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.75 | 0.28 | 0.28 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 60. | 50. | 70. | 80. | 80. |
Tend (C) | 240. | 250. | 190. | 200. | 200. |
Heat rate (K/min) | 3. | 3. | 1. | 2. | 2. |
Initial hold (min) | 5. | ||||
Final hold (min) | 10. | ||||
I | 1193. | 1169. | 1180. | 1177. | 1181. |
Reference | da Silva, Andrade, et al., 1999 | Bylaite, Venskutonis, et al., 1998 | Palma-Fleming and Kepner, 1983 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-101 | OV-101 |
Column length (m) | 70. | 70. |
Carrier gas | N2 | N2 |
Substrate | ||
Column diameter (mm) | 0.28 | 0.28 |
Phase thickness (μm) | ||
Tstart (C) | 80. | 80. |
Tend (C) | 200. | 200. |
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | ||
Final hold (min) | ||
I | 1180. | 1181. |
Reference | Yamaguchi and Shibamoto, 1979 | Yamaguchi and Shibamoto, 1979 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessière, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J.,
Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France,
Flavour Fragr. J., 2006, 21, 5, 809-812, https://doi.org/10.1002/ffj.1731
. [all data]
Ament K., Kant M.R., et al., 2004
Ament K.; Kant M.R.; Sabelis M.W.; Haring M.A.; Schuurink R.C.,
Differential timing of spider mite-induced direct and indirect defenses in tomato plants,
Plant Physiol., 2004, 135, 1, 483-495, https://doi.org/10.1104/pp.103.038315
. [all data]
Tzakou, Harvala, et al., 2000
Tzakou, O.; Harvala, C.; Galati, E.M.; Sanogo, R.,
Essential oil composition of Nepeta argolica Borey et Chaub. subsp. argolica,
Flavour Fragr. J., 2000, 15, 2, 115-118, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<115::AID-FFJ877>3.0.CO;2-9
. [all data]
Dickens, 1999
Dickens, J.C.,
Predator-prey interactions: olfactory adaptations of generalist and specialist predators,
Agric. For. Entomol., 1999, 1, 1, 47-54, https://doi.org/10.1046/j.1461-9563.1999.00007.x
. [all data]
Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O.,
Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium,
J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2
. [all data]
da Silva, Andrade, et al., 1999
da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Luz, A.I.R.; da Silva, J.D.; Maia, J.G.S.,
The essential oils of Lantana camara L. occurring in North Brazil,
Flavour Fragr. J., 1999, 14, 4, 208-210, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<208::AID-FFJ811>3.0.CO;2-F
. [all data]
Bylaite, Venskutonis, et al., 1998
Bylaite, E.; Venskutonis, R.P.; Roozen, J.P.,
Influence of harvesting time on the composition of volatile components in different anatomical parts of lovage (Levisticum officinale Koch.),
J. Agric. Food Chem., 1998, 46, 9, 3735-3740, https://doi.org/10.1021/jf9800559
. [all data]
Palma-Fleming and Kepner, 1983
Palma-Fleming, H.A.; Kepner, R.E.,
Volatile components of California live oak, Quercus agrifolia,
Phytochemistry, 1983, 22, 6, 1503-1505, https://doi.org/10.1016/S0031-9422(00)84047-9
. [all data]
Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035
. [all data]
Yamaguchi and Shibamoto, 1979
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of Castanopsis flower,
J. Agric. Food Chem., 1979, 27, 4, 847-850, https://doi.org/10.1021/jf60224a025
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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