Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Phenol

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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 CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSOptima-5 MSTR-1TR-1HP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (mum) 0.250.250.250.250.25
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.
ReferenceWanakhachornkrai and Lertsiri, 9999Goeminne, Vandendriessche, et al., 2012Gruzdev, Kuzivanov, et al., 2012Gruzdev, Kuzivanov, et al., 2012, 2Kotowska, Zalikowski, et al., 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSVF-5 MSVF-5 MSHP-5DB-5 MS
Column length (m) 30.60.60.60.25.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.320.320.250.20
Phase thickness (mum) 0.250.250.250.250.33
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.
ReferenceNawrath, Mgode, et al., 2012Leffingwell and Alford, 2011Leffingwell and Alford, 2011Piyachaiseth, Jirapakkul, et al., 2011Majcher, Lawrowski, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSHP-5 MSZB-5RTX-5HP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
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.
ReferenceRadulovic, Blagojevic, et al., 2010Radulovic, Dordevic, et al., 2010Harrison and Priest, 2009Pham, Schilling, et al., 2008Bozi, Czagany, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Elite-5MSSPB-5DB-5HP-1HP-1
Column length (m) 30.60.30.50.50.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.20.2
Phase thickness (mum) 0.51.0.250.330.33
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.
ReferenceTava, Pecetti, et al., 2007Vasta, Ratel, et al., 2007Xu, Fan, et al., 2007Castel, Fernandez, et al., 2006Castel, Fernandez, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1DB-1MDN-5DB-1
Column length (m) 30.60.60.60.60.
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (mum) 1.0.250.250.250.25
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.
ReferenceFan and Qian, 2006Lee, Lee, et al., 2005Lee, Lee, et al., 2005van Loon, Linssen, et al., 2005Park, Lee, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1HP-5SPB-5
Column length (m) 60.60.60.30.60.
Carrier gas HeHeHeHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (mum) 0.250.250.250.251.0
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.
ReferencePark, Lee, et al., 2004Park, Lee, et al., 2004Park, Lee, et al., 2004Zenkevich, Moeder, et al., 2004Sebastian, Viallon-Fernandez, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5BP-1AT-1SPB-5BP-1
Column length (m) 30.25. 60.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.2 0.320.22
Phase thickness (mum) 0.250.1 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.
ReferenceWanakhachornkrai and Lertsiri, 2003Hayes R.A., Richardson B.J., et al., 2002Kelling, 2001Poligné, Collignan, et al., 2001Health Safety Executive, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-2BPX-5DB-1DB-1DB-1
Column length (m) 25.50.60.30.60.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.20.220.320.320.25
Phase thickness (mum)  0.251.0.51.
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.
ReferenceQuiroz, Fuentes-Contreras, et al., 1999D'Arcy, Rintoul, et al., 1997Lu, Yu, et al., 1997Robacker and Bartelt, 1997Yu and Ho, 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB5-30WSE-54DB-1
Column length (m) 60.60.30.25.50.
Carrier gas He HeHe 
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (mum) 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.
ReferenceCiccioli, Cecinato, et al., 1992Binder, Benson, et al., 1990Schwab and Schreier, 1988Harland, Cumming, et al., 1986Habu, Flath, et al., 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase DB-1OV-101OV-101
Column length (m) 50.50.25.
Carrier gas   He
Substrate    
Column diameter (mm) 0.320.32 
Phase thickness (mum)    
Tstart (C) 50.50.75.
Tend (C) 250.225.280.
Heat rate (K/min) 3.4.2.
Initial hold (min)  0.17.
Final hold (min)  30. 
I 948.969.953.
ReferenceHabu, Flath, et al., 1985Stern, Flath, et al., 1985Spiteller 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, Respiratory Res., 2012, 13, 87, 1-9. [all data]

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 . [all data]

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, Rus. J. Anal. Chem., 2012, 68, 2, 175-183. [all data]

Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A., HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge, Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8 . [all data]

Nawrath, Mgode, et al., 2012
Nawrath, T.; Mgode, G.F.; Weetjens, B.; Kaufmann, S.H.E.; Schulz, S., The volatiles of pathogenic and nonpathogenic mycobacteria aand related bacteria, Beilstein J. Org. Chem., 2012, 8, 290-297, https://doi.org/10.3762/bjoc.8.31 . [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S., Aroma compounds of flash-fried rice, Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [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]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [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]

Pham, Schilling, et al., 2008
Pham, A.J.; Schilling, M.W.; Yoon, Y.; Kamadia, V.V.; Marshall, D.L., Characterization of fish sauce aroma-impact compounds using GC-MS, SPME-Osme-GCO, and Stevens' power law exponents, J. Food. Sci., 2008, 73, 4, c268-c274, https://doi.org/10.1111/j.1750-3841.2008.00709.x . [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]

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, Flavour Fragr. J., 2007, 22, 5, 363-370, https://doi.org/10.1002/ffj.1806 . [all data]

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, J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n . [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]

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]

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]

van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J., Identification and olfactometry of French fries flavour extracted at mouth conditions, Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005 . [all data]

Park, Lee, et al., 2004
Park, B.-S.; Lee, K.-G.; Takeoka, G.R., Comparison of three sample preparation methods on the recovery of volatiles from taheebo (Tabebuia impetiginosa Martius ex DC), Flavour Fragr. J., 2004, 19, 4, 287-292, https://doi.org/10.1002/ffj.1345 . [all data]

Zenkevich, Moeder, et al., 2004
Zenkevich, I.G.; Moeder, M.; Koeller, G.; Schrader, S., Using new structurally related additive schemes in the precalculation of gas chromatographic retention indices of polychlorinated hydroxybiphenyls on HP-5 stationary phase, J. Chromatogr. A, 2004, 1025, 2, 227-236, https://doi.org/10.1016/j.chroma.2003.10.106 . [all data]

Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L., Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding, Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511 . [all data]

Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S., Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce, Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5 . [all data]

Hayes R.A., Richardson B.J., et al., 2002
Hayes R.A.; Richardson B.J.; Claus S.C.; Wyllie S.G., Semiochemicals and social signaling in the wild European rabbit in Australia: II. Variations in chemical composition of chin gland secretion across sampling sites, J. Chem. Ecol., 2002, 28, 12, 2613-2625, https://doi.org/10.1023/A:1021452623055 . [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]

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]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

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, J. Chem. Ecol., 1999, 25, 5, 1043-1054, https://doi.org/10.1023/A:1020825707922 . [all data]

D'Arcy, Rintoul, et al., 1997
D'Arcy, B.R.; Rintoul, G.B.; Rowland, C.Y.; Blackman, A.J., Composition of Australian honey extractives. 1. Norisoprenoids, monoterpenes, and other natural volatiles from blue gum (Eucalyptus leucoxylon) and yellow box (Eucalyptus melliodora) honeys, J. Agric. Food Chem., 1997, 45, 5, 1834-1843, https://doi.org/10.1021/jf960625+ . [all data]

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, J. Agric. Food Chem., 1997, 45, 1, 233-236, https://doi.org/10.1021/jf960609c . [all data]

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, J. Chem. Ecol., 1997, 23, 12, 2897-2915, https://doi.org/10.1023/A:1022579414233 . [all data]

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, J. Agric. Food Chem., 1995, 43, 6, 1641-1646, https://doi.org/10.1021/jf00054a043 . [all data]

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, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [all data]

Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

Schwab and Schreier, 1988
Schwab, W.; Schreier, P., Simultaneous enzyme catalysis extraction: A versatile technique for the study of flavor precursors, J. Agric. Food Chem., 1988, 36, 6, 1238-1242, https://doi.org/10.1021/jf00084a028 . [all data]

Harland, Cumming, et al., 1986
Harland, B.J.; Cumming, R.I.; Gillings, E., The Kovats indexes of some organic micropollutants on an SE54 capillary column, EUR, I Org. Micropollut. Aquat. Environ., 1986, EUR 10388, 123-127. [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]

Stern, Flath, et al., 1985
Stern, D.J.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Lundin, R.E.; Benson, M.E., Crude oleic acid volatiles, J. Agric. Food Chem., 1985, 33, 2, 180-184, https://doi.org/10.1021/jf00062a005 . [all data]

Spiteller and Spiteller, 1979
Spiteller, M.; Spiteller, G., Trennung und charakterisierung saurer harnbest and- teile, J. Chromatogr., 1979, 164, 3, 253-317, https://doi.org/10.1016/S0378-4347(00)81232-3 . [all data]


Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References