Phenol
- Formula: C6H6O
- Molecular weight: 94.1112
- IUPAC Standard InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
- CAS Registry Number: 108-95-2
- 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. - Isotopologues:
- Other names: Carbolic acid; Baker's P and S Liquid and Ointment; Benzenol; Hydroxybenzene; Izal; Monohydroxybenzene; Monophenol; Oxybenzene; Phenic acid; Phenyl alcohol; Phenyl hydrate; Phenyl hydroxide; Phenylic acid; Phenylic alcohol; PhOH; Benzene, hydroxy-; Acide carbolique; Baker's P & S liquid & Ointment; Fenol; Fenolo; NCI-C50124; Paoscle; Phenole; Carbolsaure; NA 2821; Phenol alcohol; Phenol, molten; Rcra waste number U188; UN 1671; UN 2312; UN 2821; Phenic alcohol; NSC 36808; Campho-Phenique Cold Sore Gel (Salt/Mix); Campho-Phenique Gel (Salt/Mix); Campho-Phenique Liquid (Salt/Mix)
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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 | Optima-5 MS | TR-1 | TR-1 | HP-5 MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 35. | 50. | 50. | 35. |
Tend (C) | 280. | 250. | 300. | 300. | 300. |
Heat rate (K/min) | 15. | 10. | 5. | 5. | 3. |
Initial hold (min) | 3. | 5. | |||
Final hold (min) | 5. | 15. | |||
I | 989. | 983. | 962. | 962. | 994. |
Reference | Wanakhachornkrai and Lertsiri, 9999 | Goeminne, Vandendriessche, et al., 2012 | Gruzdev, Kuzivanov, et al., 2012 | Gruzdev, Kuzivanov, et al., 2012, 2 | Kotowska, Zalikowski, et al., 2012 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | VF-5 MS | VF-5 MS | HP-5 | DB-5 MS |
Column length (m) | 30. | 60. | 60. | 60. | 25. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
Tstart (C) | 50. | 30. | 30. | 35. | 40. |
Tend (C) | 320. | 260. | 260. | 220. | 250. |
Heat rate (K/min) | 5. | 2. | 2. | 10. | 10. |
Initial hold (min) | 5. | 1. | 1. | ||
Final hold (min) | 28. | 28. | 15. | ||
I | 984. | 987. | 989. | 981. | 994. |
Reference | Nawrath, Mgode, et al., 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Piyachaiseth, Jirapakkul, et al., 2011 | Majcher, Lawrowski, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-5 MS | ZB-5 | RTX-5 | HP-5 MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 70. | 40. | 40. | 50. |
Tend (C) | 290. | 290. | 280. | 250. | 300. |
Heat rate (K/min) | 5. | 5. | 6. | 20. | 10. |
Initial hold (min) | 1. | 5. | 1. | ||
Final hold (min) | 10. | 10. | 9. | 4. | |
I | 978. | 972. | 986. | 979. | 968. |
Reference | Radulovic, Blagojevic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Harrison and Priest, 2009 | Pham, Schilling, et al., 2008 | Bozi, Czagany, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Elite-5MS | SPB-5 | DB-5 | HP-1 | HP-1 |
Column length (m) | 30. | 60. | 30. | 50. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.2 | 0.2 |
Phase thickness (μm) | 0.5 | 1. | 0.25 | 0.33 | 0.33 |
Tstart (C) | 40. | 40. | 40. | 60. | 60. |
Tend (C) | 280. | 230. | 250. | 250. | 250. |
Heat rate (K/min) | 4. | 3. | 4. | 2. | 2. |
Initial hold (min) | 5. | 5. | 2. | 4. | 4. |
Final hold (min) | 10. | 5. | 5. | 30. | 30. |
I | 978. | 983. | 980. | 951. | 954. |
Reference | Tava, Pecetti, et al., 2007 | Vasta, Ratel, et al., 2007 | Xu, Fan, et al., 2007 | Castel, Fernandez, et al., 2006 | Castel, Fernandez, 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 | DB-1 | DB-1 | MDN-5 | DB-1 |
Column length (m) | 30. | 60. | 60. | 60. | 60. |
Carrier gas | N2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 35. | 35. | 40. | 35. |
Tend (C) | 230. | 230. | 230. | 270. | 230. |
Heat rate (K/min) | 6. | 2. | 2. | 4. | 2. |
Initial hold (min) | 2. | 4. | 4. | 4. | 4. |
Final hold (min) | 15. | 25. | 25. | 5. | 25. |
I | 980. | 957. | 963. | 980. | 957. |
Reference | Fan and Qian, 2006 | Lee, Lee, et al., 2005 | Lee, Lee, et al., 2005 | van Loon, Linssen, et al., 2005 | Park, Lee, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-1 | HP-5 | SPB-5 |
Column length (m) | 60. | 60. | 60. | 30. | 60. |
Carrier gas | He | He | He | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1.0 |
Tstart (C) | 35. | 35. | 35. | 50. | 30. |
Tend (C) | 230. | 230. | 230. | 280. | 230. |
Heat rate (K/min) | 2. | 2. | 2. | 3. | 3. |
Initial hold (min) | 4. | 4. | 4. | 3. | |
Final hold (min) | 25. | 25. | 25. | 20. | |
I | 961. | 963. | 964. | 992. | 974. |
Reference | Park, Lee, et al., 2004 | Park, Lee, et al., 2004 | Park, Lee, et al., 2004 | Zenkevich, Moeder, et al., 2004 | Sebastian, Viallon-Fernandez, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | BP-1 | AT-1 | SPB-5 | BP-1 |
Column length (m) | 30. | 25. | 60. | 50. | |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.32 | 0.22 | |
Phase thickness (μm) | 0.25 | 0.1 | 1. | 0.75 | |
Tstart (C) | 45. | 40. | 50. | 40. | 50. |
Tend (C) | 280. | 250. | 300. | 200. | 200. |
Heat rate (K/min) | 15. | 8. | 10. | 3. | 5. |
Initial hold (min) | 2. | 5. | 2. | ||
Final hold (min) | 11.4 | ||||
I | 989. | 961. | 986. | 978. | 951. |
Reference | Wanakhachornkrai and Lertsiri, 2003 | Hayes R.A., Richardson B.J., et al., 2002 | Kelling, 2001 | Poligné, Collignan, et al., 2001 | Health Safety Executive, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Ultra-2 | BPX-5 | DB-1 | DB-1 | DB-1 |
Column length (m) | 25. | 50. | 60. | 30. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.22 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.5 | 1. | |
Tstart (C) | 40. | 50. | 40. | 35. | 40. |
Tend (C) | 300. | 250. | 280. | 200. | 260. |
Heat rate (K/min) | 5. | 3. | 2. | 10. | 2. |
Initial hold (min) | 4. | 1. | 2. | 1. | 5. |
Final hold (min) | 10. | 40. | 60. | ||
I | 977. | 986. | 973. | 951. | 981. |
Reference | Quiroz, Fuentes-Contreras, et al., 1999 | D'Arcy, Rintoul, et al., 1997 | Lu, Yu, et al., 1997 | Robacker and Bartelt, 1997 | Yu and Ho, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB5-30W | SE-54 | DB-1 |
Column length (m) | 60. | 60. | 30. | 25. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1.2 | 0.25 | |||
Tstart (C) | 30. | 50. | 60. | 50. | 0. |
Tend (C) | 240. | 230. | 300. | 250. | 250. |
Heat rate (K/min) | 3. | 4. | 5. | 8. | 3. |
Initial hold (min) | 10. | 2. | |||
Final hold (min) | 10. | 12. | |||
I | 964. | 957. | 984. | 988. | 954. |
Reference | Ciccioli, Cecinato, et al., 1992 | Binder, Benson, et al., 1990 | Schwab and Schreier, 1988 | Harland, Cumming, et al., 1986 | Habu, Flath, et al., 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-1 | OV-101 | OV-101 |
Column length (m) | 50. | 50. | 25. |
Carrier gas | He | ||
Substrate | |||
Column diameter (mm) | 0.32 | 0.32 | |
Phase thickness (μm) | |||
Tstart (C) | 50. | 50. | 75. |
Tend (C) | 250. | 225. | 280. |
Heat rate (K/min) | 3. | 4. | 2. |
Initial hold (min) | 0.1 | 7. | |
Final hold (min) | 30. | ||
I | 948. | 969. | 953. |
Reference | Habu, Flath, et al., 1985 | Stern, Flath, et al., 1985 | Spiteller and Spiteller, 1979 |
Comment | MSDC-RI | 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.
Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S.,
Comparison of determination method for volatile compounds in Thai soy sauce,
Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]
Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J.,
Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis,
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Gruzdev, Kuzivanov, et al., 2012
Gruzdev, I.V.; Kuzivanov, I.M.; Zenkevich, I.G.; Kondratenok, B.M.,
Gas-chromatographic identification of products formed in iodination of methyl phenols by retention indices,
Rus. J. Appl. Chem., 2012, 85, 9, 1355-1365, https://doi.org/10.1134/S1070427212090108
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Gruzdev, Kuzivanov, et al., 2012, 2
Gruzdev, I.V.; Kuzivanov, I.M.; Zenkevich, I.G.; Kondratenok, B.M.,
Gas chromatographic determination of methylsubstituted phenols in aqueous media with preliminary iodination,
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Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
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Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
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Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S.,
Aroma compounds of flash-fried rice,
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Majcher, Lawrowski, et al., 2010
Majcher, M.; Lawrowski, P.; Jelen, H.,
Comparison of original and adulterated oscypek cheese based on volatile and sensory profiles,
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Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
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Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
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Harrison and Priest, 2009
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Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
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Thermal decomposition of flame retarded polycarbonates,
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Tava, Pecetti, et al., 2007
Tava, A.; Pecetti, L.; Ricci, M.; Pagnotta, M.A.; Russi, L.,
Volatile compounds from leaves and flowers of Bituminaria bituminosa (L.) Stirt. (Fabaceae) from Italy,
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Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E.,
Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals,
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Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
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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,
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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,
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van Loon, Linssen, et al., 2005
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Identification and olfactometry of French fries flavour extracted at mouth conditions,
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Zenkevich, Moeder, et al., 2004
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Using new structurally related additive schemes in the precalculation of gas chromatographic retention indices of polychlorinated hydroxybiphenyls on HP-5 stationary phase,
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Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
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Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
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Hayes R.A., Richardson B.J., et al., 2002
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Semiochemicals and social signaling in the wild European rabbit in Australia: II. Variations in chemical composition of chin gland secretion across sampling sites,
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Kelling, 2001
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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]
Poligné, Collignan, et al., 2001
Poligné, I.; Collignan, A.; Trystram, G.,
Characterization of traditional processing of pork meat into boucané,
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Quiroz, Fuentes-Contreras, et al., 1999
Quiroz, A.; Fuentes-Contreras, E.; Ramírez, C.C.; Russell, G.B.; Niemeyer, H.M.,
Host-plant chemicals and distribution of Neuquenaphis ON Nothofagus,
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D'Arcy, Rintoul, et al., 1997
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Composition of Australian honey extractives. 1. Norisoprenoids, monoterpenes, and other natural volatiles from blue gum (Eucalyptus leucoxylon) and yellow box (Eucalyptus melliodora) honeys,
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Lu, Yu, et al., 1997
Lu, G.; Yu, T.-H.; Ho, C.-T.,
Generation of flavor compounds by the reaction of 2-deoxyglucose with selected amino acids,
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Robacker and Bartelt, 1997
Robacker, D.C.; Bartelt, R.J.,
Chemicals attractive to Mexican fruit fly from Klebsiella pneumoniae and Citrobacter freundii cultures sampled by solid-phase microextraction MICROEXTRACTION,
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Yu and Ho, 1995
Yu, T.-H.; Ho, C.-T.,
Volatile compounds generated from thermal reaction of methionine and methionine sulfoxide with or without glucose,
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Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation,
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Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A.,
Volatile Components of Safflower,
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Schwab and Schreier, 1988
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Notes
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Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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