Benzoic acid, 2-methoxy-, methyl ester
- Formula: C9H10O3
- Molecular weight: 166.1739
- IUPAC Standard InChI: InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3
- IUPAC Standard InChIKey: PFYHAAAQPNMZHO-UHFFFAOYSA-N
- CAS Registry Number: 606-45-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: o-Anisic acid, methyl ester; o-Methoxybenzoic acid methyl ester; Methyl o-methoxybenzoate; Methyl 2-methoxybenzoate; 2-Methoxybenzoic acid, methyl ester; Dimethyl salicylate; o-Methoxy methyl benzoate; Methyl o-anisate; Methylsalicylate methyl ether; Methyl ester of o-Methoxybenzoic acid; Dimethyl derivative of Salicylic acid; Benzoic acid, o-methoxy-, methyl ester; NSC 406256
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Phase change data
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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 521.2 | K | N/A | Aldrich Chemical Company Inc., 1990 |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference |
|---|---|---|
| 400.2 | 0.015 | Weast and Grasselli, 1989 |
Gas Chromatography
Go To: Top, Phase change data, 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. | 1303. | Fedoreev and Maksimov, 1977 | Gaschrom; Column length: 1.5 m |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1298. | Jenett-Siems, Schimming, et al., 1998 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1341. | Todua, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
| Capillary | DB-1 | 1362. | Osorio, Alarcon, et al., 2006 | 25. m/0.2 mm/0.33 μm, 4. K/min; Tstart: 50. C; Tend: 300. C |
| Capillary | DB-5 | 1335. | Nogueira, Bittrich, et al., 2001 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1336. | Nogueira, Marsaioli, et al., 1998 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-1 | 1295. | Stashenko, Prada, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3.5 K/min; Tend: 250. C |
| Capillary | OV-1 | 1295. | Tan, Holland, et al., 1988 | He, 8. K/min, 280. C @ 10. min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 40. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1351.3 | Zaikin, 2003 | Column length: 30. m; Column diameter: 0.19 mm; Program: 50 C to 120 C at 5 C/min; 120 C to 290 C at 12 C/min |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2049. | Osorio, Alarcon, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
| Capillary | DB-Wax | 2073. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1335. | Bertrand, Comte, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C |
| Capillary | ZB-5 | 1347. | Dötterl, Wolfe, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 250. C @ 1. min |
| Capillary | ZB-5 | 1351. | Jürgens and Dötterl, 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4.6 min, 6. K/min, 260. C @ 1. min |
| Capillary | DB-1 | 1292. | Stashenko, Torres, et al., 1995 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3.5 K/min; Tend: 250. C |
| Capillary | DB-1 | 1293. | Sharp, 1987 | 15. m/0.25 mm/0.25 μm, He, 130. C @ 1. min, 10. K/min, 290. C @ 10. min |
| Capillary | DB-1 | 1295. | Flath, Mon, et al., 1983 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Siloxane, 5 % Ph | 1347. | VOC BinBase, 2012 | Program: not specified |
| Capillary | CP Sil 8 CB | 1337. | Meekijjaroenroj, Bessière, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 3C/min => 100C => 2.7C/min => 140C => 2.4C/min => 180C => 6C/min => 250C |
| Capillary | HP-1 | 1295. | 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 | 2032. | Mastelic, Jerkovic, et al., 2006 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP Innowax FSP | 2088. | Tasdemir, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
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]
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
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Todua, 2011
Todua, N.G.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C.,
Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.),
J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c
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Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2
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Nogueira, Marsaioli, et al., 1998
Nogueira, P.C.L.; Marsaioli, A.J.; Amaral, M.C.E.; Bittrich, V.,
The fragrant floral oils of Tovomita species,
Phytochemistry, 1998, 49, 4, 1009-1012, https://doi.org/10.1016/S0031-9422(97)01046-7
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Stashenko, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R.,
HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques,
J. Hi. Res. Chromatogr., 1996, 19, 6, 353-358, https://doi.org/10.1002/jhrc.1240190609
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Tan, Holland, et al., 1988
Tan, S.-T.; Holland, P.T.; Wilkins, A.L.; Molan, P.C.,
Extractives from New Zealand honeys. 1. White clovers, manuka, and kanuka unifloral honeys,
J. Agric. Food Chem., 1988, 36, 3, 453-460, https://doi.org/10.1021/jf00081a012
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Zaikin, 2003
Zaikin, V.G.,
Personal Communication: Retention indices measured during the period 2001 to 2003, 2003. [all data]
Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y.,
Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion,
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Bertrand, Comte, et al., 2006
Bertrand, C.; Comte, G.; Piola, F.,
Solid-phase microextraction of volatile compounds from flowers of two Brunfelsia species,
Biochem. Syst. Ecol., 2006, 34, 5, 371-375, https://doi.org/10.1016/j.bse.2005.12.005
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Dötterl, Wolfe, et al., 2005
Dötterl, S.; Wolfe, L.M.; Jürgens, A.,
Qualitative and quantitative analyses of flower scent in Silene latifolia,
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Jürgens and Dötterl, 2004
Jürgens, A.; Dötterl, S.,
Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species,
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Stashenko, Torres, et al., 1995
Stashenko, E.E.; Torres, W.; Morales, J.R.M.,
A study of the compositional variation of the essential oil of ylang-ylang (Cananga odorata Hook Fil. et Thomson, forma genuina) during flower development,
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Sharp, 1987
Sharp, M.E.,
A rapid screening procedure for acidic and neutral drugs in blood by high resolution gas chromatography,
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Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W.,
Volatile components of Acacia sp. blossoms,
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VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Meekijjaroenroj, Bessière, et al., 2007
Meekijjaroenroj, A.; Bessière, J.-M.; Anstett, M.-C.,
Chemistry of floral scents in four Licuala species (Arecaceae),
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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
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Mastelic, Jerkovic, et al., 2006
Mastelic, J.; Jerkovic, I.; Mesic, M.,
Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L.,
Flavour Fragr. J., 2006, 21, 2, 306-313, https://doi.org/10.1002/ffj.1596
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Tasdemir, Demirci, et al., 2003
Tasdemir, D.; Demirci, B.; Demirci, F.; Dönmez, A.A.; Baser, K.H.C.; Rüedi, P.,
Analysis of the Volatile Components of Five Turkish Rhododendron Species by Headspace Solid-Phase Microextraction and GC-MS (HS-SPME-GC-MS),
Z. Naturforsch., 2003, 58c, 797-803. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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