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

p-Cresol

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 TR-1TR-1DB-5HP-5 MSHP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 50.50.40.70.70.
Tend (C) 300.300.250.290.290.
Heat rate (K/min) 5.5.8.5.5.
Initial hold (min)   2.  
Final hold (min)   5.10.10.
I 1055.1055.1100.1074.1070.
ReferenceGruzdev, Kuzivanov, et al., 2012Gruzdev, Kuzivanov, et al., 2012, 2Czerny, Brueckner, et al., 2011Radulovic, Blagojevic, et al., 2010Radulovic, Dordevic, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-5DB-5HP-5 MSDB-5DB-1
Column length (m) 30.30.30.30.60.
Carrier gas HeliumNitrogenHeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 40.60.50.60.35.
Tend (C) 280.240.300.200.230.
Heat rate (K/min) 6.3.10.2.2.
Initial hold (min) 1.1.1. 4.
Final hold (min) 9.9.4.60.25.
I 1081.1075.1070.1069.1051.
ReferenceHarrison and Priest, 2009Jardin, Jham, et al., 2008Bozi, Czagany, et al., 2007Rout, Naik, et al., 2006Lee, Lee, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1DB-1DB-1
Column length (m) 60.50.60.60.60.
Carrier gas HeN2HeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 35.90.35.35.35.
Tend (C) 230.240.230.230.230.
Heat rate (K/min) 2.4.2.2.2.
Initial hold (min) 4. 4.4.4.
Final hold (min) 25. 25.25.25.
I 1055.1052.1041.1051.1053.
ReferenceLee, Lee, et al., 2005Velasco-Negueruela, Pérez-Alonso, et al., 2005Park, Lee, et al., 2004Park, Lee, et al., 2004Park, Lee, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1SPB-5Cross-Linked MethylsiliconeDB-5
Column length (m) 60.60.60.25.30.
Carrier gas HeN2HeliumHeHe
Substrate      
Column diameter (mm) 0.320.250.320.20.32
Phase thickness (mum) 0.250.251.00.330.25
Tstart (C) 35.80.30.70.40.
Tend (C) 230.210.230.250.230.
Heat rate (K/min) 2.3.3.4.6.
Initial hold (min) 4.   2.
Final hold (min) 25.15.  10.
I 1056.1044.1071.1052.1078.
ReferencePark, Lee, et al., 2004Ueno, Masuda, et al., 2004Sebastian, Viallon-Fernandez, et al., 2003Velasco-Negueruela, Pérez-Alonso, et al., 2003Czerny and Schieberle, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5DB-1OV-101AT-1DB-5MS
Column length (m)  50.25. 30.
Carrier gas  N2NitrogenHeHe
Substrate      
Column diameter (mm)  0.250.25 0.32
Phase thickness (mum)  0.25  0.25
Tstart (C) 40.95.60.50.40.
Tend (C) 260.240.240.300.195.
Heat rate (K/min) 5.4.4.10.5.
Initial hold (min)   0.2.5.
Final hold (min)   0. 40.
I 1086.1052.1060.1090.1074.
ReferenceDiaz and Kite, 2002Velasco-Negueruela, Pérez-Alonso, et al., 2002Zenkevich and Rodin, 2002Kelling, 2001Suriyaphan, Drake, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-1SE-54DB-1OV-101DB-5
Column length (m) 50.25.60.50.30.
Carrier gas He He H2
Substrate      
Column diameter (mm) 0.220.310.250.220.32
Phase thickness (mum) 0.75 0.25 1.
Tstart (C) 50.35.50.80.40.
Tend (C) 200.250.250.200.220.
Heat rate (K/min) 5.4.3.52.3.
Initial hold (min)  3.5.  
Final hold (min)      
I 1047.1073.1070.1051.1080.
ReferenceHealth Safety Executive, 2000Ding, Deng, et al., 1998Stashenko, Torres, et al., 1995Egolf and Jurs, 1993Moio, Dekimpe, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5SE-54Ultra-1DB-5
Column length (m) 30.30.30.25.30.
Carrier gas H2H2HydrogenHeHydrogen
Substrate      
Column diameter (mm) 0.320.320.250.320.35
Phase thickness (mum) 1.1.0.250.251.0
Tstart (C) 40.40.60.80.45.
Tend (C) 220.220.250.260.220.
Heat rate (K/min) 3.5.2.3.2.
Initial hold (min)  5.5.  
Final hold (min)   2.  
I 1081.1082.1086.1044.1104.
ReferenceMoio, Dekimpe, et al., 1993Moio, Langlois, et al., 1993Kollmannsberger, Nitz, et al., 1992Okumura, 1991Georgilopoulos and Gallois, 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1OV-101OV-101
Column length (m) 50.50.30.25.
Carrier gas   H2He
Substrate     
Column diameter (mm) 0.320.320.3 
Phase thickness (mum)     
Tstart (C) 0.50.80.75.
Tend (C) 250.250.275.280.
Heat rate (K/min) 3.3.2.2.
Initial hold (min)   7.7.
Final hold (min)     
I 1048.1046.1048.1047.
ReferenceHabu, Flath, et al., 1985Habu, Flath, et al., 1985Pinkston, Spiteller, et al., 1981Spiteller and Spiteller, 1979
Comment MSDC-RI 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.

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]

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]

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]

Jardin, Jham, et al., 2008
Jardin, C.M.; Jham, G.N.; Dhingra, O.D.; Freire, M.M., Composition and Antifungal activity of the essential oil of the Brazilian Chenopodium ambrosioides L., J. Chem. Ecol., 2008, 34, 9, 1213-1218, https://doi.org/10.1007/s10886-008-9526-z . [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]

Rout, Naik, et al., 2006
Rout, P.K.; Naik, S.N.; Rao, Y.R., Composition of the concrete, absolute, headspace and essential oil of the flowers of Michelia champaca Linn., Flavour Fragr. J., 2006, 21, 6, 906-911, https://doi.org/10.1002/ffj.1742 . [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]

Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J., Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Pimpinella anagodendron Bolle and Pimpinella rupicola Svent., two endemic species to the Canary Islands, Spain, J. Chromatogr. A, 2005, 1095, 1-2, 180-184, https://doi.org/10.1016/j.chroma.2005.09.074 . [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]

Ueno, Masuda, et al., 2004
Ueno, T.; Masuda, H.; Ho, C.-T., Formation mechanism of p-methylacetophenone from citral via a tert-alkoxy radical intermediate, J. Agric. Food Chem., 2004, 52, 18, 5677-5684, https://doi.org/10.1021/jf035517j . [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]

Velasco-Negueruela, Pérez-Alonso, et al., 2003
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J., Analysis by gas chromatography-mass spectrometry of the essential oil from the aerial parts of Pimpinella junoniae Ceb. Ort., gathered in La Gomera, Canary Islands, Spain, J. Chromatogr. A, 2003, 1011, 1-2, 241-244, https://doi.org/10.1016/S0021-9673(03)01082-3 . [all data]

Czerny and Schieberle, 2002
Czerny, M.; Schieberle, P., Important aroma compounds in freshly ground wholemeal and white wheat flour-identification and quantitative changes during sourdough fermentation, J. Agric. Food Chem., 2002, 50, 23, 6835-6840, https://doi.org/10.1021/jf020638p . [all data]

Diaz and Kite, 2002
Diaz, A.; Kite, G.C., A comparison of the pollination ecology of Arum maculatum and A. italicum in England, Watsonia, 2002, 24, 171-181. [all data]

Velasco-Negueruela, Pérez-Alonso, et al., 2002
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; de Paz, P.L.P.; Vallejo, C.G.; Palá-Paúl, J.; Iñigo, A., Chemical composition of the essential oils from the roots, fruits, leaves and stems of Pimpinella cumbrae link growing in the Canary Islands (Spain), Flavour Fragr. J., 2002, 17, 6, 468-471, https://doi.org/10.1002/ffj.1131 . [all data]

Zenkevich and Rodin, 2002
Zenkevich, I.G.; Rodin, A.A., Gas Chromatographic One-Step Determination of Number of Hydroxyl Groups in Polyphenols with Mixed Derivatization Reagents, Zh. Anal. Khim. (Rus.), 2002, 57, 7, 732-736. [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]

Suriyaphan, Drake, et al., 2001
Suriyaphan, O.; Drake, M.; Chen, X.Q.; Cadwallader, K.R., Characteristic aroma components of British farmhouse cheddar cheese, J. Agric. Food Chem., 2001, 49, 3, 1382-1387, https://doi.org/10.1021/jf001121l . [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]

Ding, Deng, et al., 1998
Ding, Q.; Deng, Y.; Sun, Y.; Huagn, A.; Sun, Y., Analysis of volatile components in ox feces by capillary gas chromatography, Beijing Daxue Xuebao Ziran Kexueban, 1998, 34, 6, 720-725. [all data]

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, J. Hi. Res. Chromatogr., 1995, 18, 2, 101-104, https://doi.org/10.1002/jhrc.1240180206 . [all data]

Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C., Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds, Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027 . [all data]

Moio, Dekimpe, et al., 1993
Moio, L.; Dekimpe, J.; Etievant, P.; Addeo, F., Neutral volatile compounds in the raw milks from different species, J. Dairy Res., 1993, 60, 2, 199-213, https://doi.org/10.1017/S0022029900027515 . [all data]

Moio, Langlois, et al., 1993
Moio, L.; Langlois, D.; Etievant, P.; Addeo, F., Powerful odorants in bovine, ovine, caprine and water buffalo milk determined by means of gas chromatography-olfactometry, J. Dairy Res., 1993, 60, 02, 215-222, https://doi.org/10.1017/S0022029900027527 . [all data]

Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F., UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok), Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481 . [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]

Georgilopoulos and Gallois, 1988
Georgilopoulos, D.N.; Gallois, A.N., Flavour compounds of a commercial concentrated blackberry juice, Food Chem., 1988, 28, 2, 141-148, https://doi.org/10.1016/0308-8146(88)90143-4 . [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]

Pinkston, Spiteller, et al., 1981
Pinkston, D.; Spiteller, G.; von Henning, H.; Matthaei, D., High-resolution gas chromatography-mass spectrometry of the methyl esters of organic acids from uremic hemofiltrates, J. Chromatogr., 1981, 223, 1, 1-19, https://doi.org/10.1016/S0378-4347(00)80063-8 . [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