Phenol, 4-ethyl-
- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChIKey: HXDOZKJGKXYMEW-UHFFFAOYSA-N
- CAS Registry Number: 123-07-9
- 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: Phenol, p-ethyl-; p-Ethylphenol; 1-Ethyl-4-hydroxybenzene; 4-Ethylphenol; 1-Hydroxy-4-ethylbenzene; Paraethylphenol
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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 | HP-5 MS | DB-5 | ZB-5 | HP-5 MS | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 40. | 40. | 50. | 40. |
Tend (C) | 250. | 250. | 280. | 300. | 250. |
Heat rate (K/min) | 5. | 8. | 6. | 10. | 4. |
Initial hold (min) | 0.5 | 2. | 1. | 1. | 2. |
Final hold (min) | 0.5 | 5. | 9. | 4. | 5. |
I | 1168. | 1193. | 1171. | 1161. | 1170. |
Reference | Fanaro, Duarte, et al., 2012 | Czerny, Brueckner, et al., 2011 | Harrison and Priest, 2009 | Bozi, Czagany, et al., 2007 | 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 | HP-1 | HP-1 | HP-1 | DB-5 | HP-5 |
Column length (m) | 50. | 50. | 50. | 30. | 30. |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.2 | 0.2 | 0.32 | 0.25 |
Phase thickness (μm) | 0.33 | 0.33 | 0.5 | 1. | 0.25 |
Tstart (C) | 60. | 60. | 60. | 40. | 40. |
Tend (C) | 250. | 250. | 250. | 230. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 6. | 4. |
Initial hold (min) | 4. | 4. | 2. | 5. | |
Final hold (min) | 30. | 30. | 120. | 15. | 10. |
I | 1136. | 1130. | 1141. | 1181. | 1192. |
Reference | Castel, Fernandez, et al., 2006 | Castel, Fernandez, et al., 2006 | Castel, Fernandez, et al., 2006, 2 | Fan and Qian, 2006 | Jiménez, Aguilera, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-1 | DB-5 | DB-1 | DB-1 |
Column length (m) | 30. | 50. | 30. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 40. | 35. | 35. |
Tend (C) | 240. | 250. | 280. | 230. | 230. |
Heat rate (K/min) | 4. | 2. | 8. | 2. | 2. |
Initial hold (min) | 2. | 60. | 4. | 4. | |
Final hold (min) | 25. | 25. | |||
I | 1178. | 1137. | 1171. | 1133. | 1141. |
Reference | El-Sayed, Heppelthwaite, et al., 2005 | Fernandez, Lizzani-Cuvelier, et al., 2005 | Jelén, Krawczyk, et al., 2005 | Lee, Lee, et al., 2005 | Lee, Lee, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | AT-1 | BP-5 | Ultra-1 | DB-1 |
Column length (m) | 30. | 50. | 25. | 50. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 1. | 0.25 | ||
Tstart (C) | 40. | 50. | 40. | 80. | 0. |
Tend (C) | 220. | 300. | 190. | 260. | 250. |
Heat rate (K/min) | 5. | 10. | 2. | 3. | 3. |
Initial hold (min) | 1. | 2. | 5. | ||
Final hold (min) | 20. | ||||
I | 1169. | 1170. | 1188. | 1137. | 1142. |
Reference | Ledauphin, Guichard, et al., 2003 | Kelling, 2001 | Lopez, Ferreira, et al., 1999 | Okumura, 1991 | Habu, Flath, et al., 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-1 |
Column length (m) | 50. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | |
Tstart (C) | 50. |
Tend (C) | 250. |
Heat rate (K/min) | 3. |
Initial hold (min) | |
Final hold (min) | |
I | 1141. |
Reference | Habu, Flath, et al., 1985 |
Comment | 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.
Fanaro, Duarte, et al., 2012
Fanaro, G.B.; Duarte, R.C.; Santillo, A.G.; Pinto e Silva, M.E.M.; Purgatto, E.; Villavicento, A.L.C.H.,
Evaluation of γ-radiation on oolong tea odor volatiles,
Radiation Phys. Chem., 2012, 81, 8, 1152-1156, https://doi.org/10.1016/j.radphyschem.2011.11.061
. [all data]
Czerny, Brueckner, et al., 2011
Czerny, M.; Brueckner, R.; Kirchoff, E.; Schmitt, R.; Buettner, A.,
The influence of molecular structure on odor qualities and odor detection thresholds of volatile alkylated phenols,
Chem. Senses, 2011, 1-15, retrieved from http://chemie.oxfordjournals.org. [all data]
Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G.,
Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y
. [all data]
Bozi, Czagany, et al., 2007
Bozi, J.; Czagany, Z.; Meszaros, E.; Blazso, M.,
Thermal decomposition of flame retarded polycarbonates,
J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 337-345, https://doi.org/10.1016/j.jaap.2007.01.001
. [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]
Jiménez, Aguilera, et al., 2006
Jiménez, A.; Aguilera, M.P.; Beltrán, G.; Uceda, M.,
Application of solid-phase microextraction to virgin olive oil quality control,
J. Chromatogr. A, 2006, 1121, 1, 140-144, https://doi.org/10.1016/j.chroma.2006.05.005
. [all data]
El-Sayed, Heppelthwaite, et al., 2005
El-Sayed, A.M.; Heppelthwaite, V.J.; Manning, L.M.; Gibb, A.R.; Suckling, D.M.,
Volatile constituents of fermented sugar baits and their attraction to lepidopteran species,
J. Agric. Food Chem., 2005, 53, 4, 953-958, https://doi.org/10.1021/jf048521j
. [all data]
Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Chemical composition of the essential oils from Turkish and Honduras Styrax,
Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370
. [all data]
Jelén, Krawczyk, et al., 2005
Jelén, H.H.; Krawczyk, J.; Larsen, T.O.; Jarosz, A.; Golebniak, B.,
Main compounds responsible for off-odour of strawberries infected by Phytophthora cactorum,
Lett. Appl. Microbiol., 2005, 40, 4, 255-259, https://doi.org/10.1111/j.1472-765X.2005.01668.x
. [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]
Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D.,
Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants,
J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e
. [all data]
Kelling, 2001
Kelling, F.J.,
Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001. [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]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [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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