Phenol, 4-ethyl-2-methoxy-
- Formula: C9H12O2
- Molecular weight: 152.1904
- IUPAC Standard InChI: InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
- IUPAC Standard InChIKey: CHWNEIVBYREQRF-UHFFFAOYSA-N
- CAS Registry Number: 2785-89-9
- 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: p-Ethylguaiacol; 2-Methoxy-4-ethylphenol; 4-Ethyl-2-methoxyphenol; 4-Ethylguaiacol; 4-Hydroxy-3-methoxy ethylbenzene; 4-Ethyl-2-methoxyphenol (4-ethylguaiacol); 4-Ethyl-2-metoxy phenol; Guaiacol, 4-ethyl; p-Ethyl-2-methoxyphenol; Phenol, 2-methoxy-4-ethyl; 4-ethyl guiacol; ethylguiacol (4-ethyl-2-methoxyphenol)
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- Other data available:
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Normal alkane 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 | VF-5 MS | DB-5 MS | HP-5 MS | SLB-5MS | DB-5 |
| Column length (m) | 30. | 25. | 30. | 10. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.18 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.18 | 0.25 |
| Tstart (C) | 60. | 40. | 50. | 40. | 40. |
| Tend (C) | 280. | 250. | 280. | 295. | 250. |
| Heat rate (K/min) | 6. | 10. | 4. | 10. | 4. |
| Initial hold (min) | 1. | 1. | 1.5 | 2. | |
| Final hold (min) | 3. | 5. | |||
| I | 1286. | 1299. | 1280. | 1285. | 1286. |
| Reference | Souza, Re-Poppi, et al., 2012 | Majcher, Lawrowski, et al., 2010 | Zhao, Zeng, et al., 2009 | Risticevic, Carasek, et al., 2008 | Xu, Fan, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-1 | HP-1 | HP-1 | DB-5 |
| Column length (m) | 30. | 50. | 50. | 50. | 30. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.2 | 0.2 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.33 | 0.5 | 1. |
| Tstart (C) | 40. | 60. | 60. | 60. | 40. |
| Tend (C) | 250. | 250. | 250. | 250. | 230. |
| Heat rate (K/min) | 4. | 2. | 2. | 2. | 6. |
| Initial hold (min) | 2. | 4. | 4. | 2. | |
| Final hold (min) | 5. | 30. | 30. | 120. | 15. |
| I | 1288. | 1245. | 1244. | 1253. | 1281. |
| Reference | Xu, Fan, et al., 2007 | Castel, Fernandez, et al., 2006 | Castel, Fernandez, et al., 2006 | Castel, Fernandez, et al., 2006, 2 | Fan and Qian, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-1 | DB-1 | SE-54 | HP-1 |
| Column length (m) | 13.5 | 60. | 60. | 30. | 50. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | |
| Tstart (C) | 35. | 35. | 35. | 40. | 60. |
| Tend (C) | 225. | 230. | 230. | 200. | 220. |
| Heat rate (K/min) | 6. | 2. | 2. | 5. | 2. |
| Initial hold (min) | 3. | 4. | 4. | 4. | |
| Final hold (min) | 25. | 25. | 10. | 45. | |
| I | 1279. | 1247. | 1250. | 1265. | 1254. |
| Reference | de Souza, Vásquez, et al., 2006 | Lee, Lee, et al., 2005 | Lee, Lee, et al., 2005 | Tura, Prenzler, et al., 2004 | Fernandez, Lizzani-Cuvelier, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | SPB-5 | DB-5 | BP-5 |
| Column length (m) | 30. | 30. | 60. | 30. | 50. |
| Carrier gas | H2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | 1. |
| Tstart (C) | 60. | 40. | 40. | 40. | 40. |
| Tend (C) | 280. | 230. | 200. | 230. | 190. |
| Heat rate (K/min) | 4. | 6. | 3. | 6. | 2. |
| Initial hold (min) | 10. | 2. | 2. | 5. | |
| Final hold (min) | 40. | 5. | 5. | ||
| I | 1281. | 1283. | 1288. | 1285. | 1288. |
| Reference | Pino, Marbot, et al., 2003 | Sanz, Czerny, et al., 2002 | Poligné, Collignan, et al., 2001 | Czerny and Grosch, 2000 | Lopez, Ferreira, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | OV-101 | DB-1 |
| Column length (m) | 10. | 30. |
| Carrier gas | Helium | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.52 | 0.25 |
| Tstart (C) | 35. | 50. |
| Tend (C) | 225. | 200. |
| Heat rate (K/min) | 6. | 5. |
| Initial hold (min) | 3. | |
| Final hold (min) | ||
| I | 1250. | 1247. |
| Reference | Deibler, Acree, et al., 1998 | Kjällstrand, Ramnäs, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Souza, Re-Poppi, et al., 2012
Souza, J.B.G.; Re-Poppi, N.; Raposo, J.L.(Jr).,
Characterization of pyroligneous acid used in agriculture by gas chromatography - mass spectrometry (in press),
J. Braz. Chem. Soc., 2012, 00, 00, 1-8. [all data]
Majcher, Lawrowski, et al., 2010
Majcher, M.; Lawrowski, P.; Jelen, H.,
Comparison of original and adulterated oscypek cheese based on volatile and sensory profiles,
Acta Sci. Pol. Technol. Aliment., 2010, 9, 3, 265-275. [all data]
Zhao, Zeng, et al., 2009
Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T.,
Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods,
J. Sep. Sci., 2009, 32, 4, 660-670, https://doi.org/10.1002/jssc.200800484
. [all data]
Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J.,
Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee,
Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009
. [all data]
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
. [all data]
Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Volatile constituents of benzoin gums: Siam and Sumatra, part 2. Study of headspace sampling methods,
Flavour Fragr. J., 2006, 21, 1, 59-67, https://doi.org/10.1002/ffj.1502
. [all data]
Castel, Fernandez, et al., 2006, 2
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Perichet, C.; Lavoine, S.,
Characterization of the Chemical Composition of a Byproduct from Siam Benzoin Gum,
J. Agric. Food Chem., 2006, 54, 23, 8848-8854, https://doi.org/10.1021/jf061193y
. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
de Souza, Vásquez, et al., 2006
de Souza, M.D.C.A.; Vásquez, P.; del Mastro, N.L.; Acree, T.E.; Lavin, E.H.,
Characterization and cachaca and rum aroma,
J. Agric. Food Chem., 2006, 54, 2, 485-488, https://doi.org/10.1021/jf0511190
. [all data]
Lee, Lee, et al., 2005
Lee, K.-G.; Lee, S.-E.; Takeoka, G.R.; Kim, J.-H.; Park, B.-S.,
Antioxidant activity and characterization of volatile constituents of beechwood creosote,
J. Sci. Food Agric., 2005, 85, 9, 1580-1586, https://doi.org/10.1002/jsfa.2156
. [all data]
Tura, Prenzler, et al., 2004
Tura, D.; Prenzler, P.D.; Bedgood, D.R., Jr.; Antolovich, M.; Robards, K.,
Varietal and processing effects on the volatile profile of Australian olive oils,
Food Chem., 2004, 84, 3, 341-349, https://doi.org/10.1016/S0308-8146(03)00217-6
. [all data]
Fernandez, Lizzani-Cuvelier, et al., 2003
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Périchet, C.; Delbecque, C.,
Volatile constituents of benzoin gums: Siam and Sumatra. Part 1.,
Flavour Fragr. J., 2003, 18, 4, 328-333, https://doi.org/10.1002/ffj.1230
. [all data]
Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba,
J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y
. [all data]
Sanz, Czerny, et al., 2002
Sanz, C.; Czerny, M.; Cid, C.; Schieberle, P.,
Comparison of potent odorants in a filtered coffee brew and in an instant coffee beverage by aroma extract dilution analysis (AEDA),
Eur. Food Res. Technol., 2002, 214, 4, 299-302, https://doi.org/10.1007/s00217-001-0459-9
. [all data]
Poligné, Collignan, et al., 2001
Poligné, I.; Collignan, A.; Trystram, G.,
Characterization of traditional processing of pork meat into boucané,
Meat Sci., 2001, 59, 4, 377-389, https://doi.org/10.1016/S0309-1740(01)00090-0
. [all data]
Czerny and Grosch, 2000
Czerny, M.; Grosch, W.,
Potent odorants of raw Arabica coffee. Their changes during roasting,
J. Agric. Food Chem., 2000, 48, 3, 868-872, https://doi.org/10.1021/jf990609n
. [all data]
Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F.,
Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study,
J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K
. [all data]
Deibler, Acree, et al., 1998
Deibler, K.D.; Acree, T.E.; Lavin, E.H.,
Aroma analysis of coffrr brew by gas chromatography-oldfactometry,
Developments in Food Sci., 1998, 40, 69-78. [all data]
Kjällstrand, Ramnäs, et al., 1998
Kjällstrand, J.; Ramnäs, O.; Petersson, G.,
Gas chromatographic and mass spectrometric analysis of 36 lignin-related methoxyphenols from uncontrolled combustion of wood,
J. Chromatogr. A, 1998, 824, 2, 205-210, https://doi.org/10.1016/S0021-9673(98)00698-0
. [all data]
Notes
Go To: Top, Normal alkane 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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