p-Cresol
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChIKey: IWDCLRJOBJJRNH-UHFFFAOYSA-N
- CAS Registry Number: 106-44-5
- 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, 4-methyl-; p-Hydroxytoluene; p-Kresol; p-Methylhydroxybenzene; p-Methylphenol; p-Oxytoluene; p-Toluol; p-Tolyl alcohol; 1-Hydroxy-4-methylbenzene; 4-Cresol; 4-Hydroxytoluene; 4-Methylphenol; 1-Methyl-4-hydroxybenzene; Paracresol; Cresol, para; Paramethyl phenol; Rcra waste number U052; p-Cresylic acid; Cresol,p-; Phenol, 4-methyI; NSC 3696; 4-methylphenol ( p-cresol); p-Cresol (4-methylphenol)
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Van Den Dool and Kratz 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 | SPB-5 | HP-5MS | HP-5MS | DB-5MS | SE-54 |
Column length (m) | 60. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 0.5 | 0.5 | 0.25 | |
Tstart (C) | 40. | 35. | 35. | 35. | 40. |
Tend (C) | 230. | 225. | 225. | 225. | 240. |
Heat rate (K/min) | 3. | 4. | 4. | 10. | 8. |
Initial hold (min) | 2. | 5. | 5. | 5. | 2. |
Final hold (min) | 10. | 30. | 30. | 25. | 5. |
I | 1077. | 1098. | 1075. | 1085. | 1082. |
Reference | Engel and Ratel, 2007 | Jarunrattanasri, Theerakulkait, et al., 2007 | Jarunrattanasri, Theerakulkait, et al., 2007 | Lozano P.R., Drake M., et al., 2007 | Schlutt B., Moran N., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | RTX-5 | RTX-5 | DB-5 | DB-5 |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | N2 | N2 | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 40. | 40. | 40. | 40. |
Tend (C) | 220. | 300. | 300. | 200. | 200. |
Heat rate (K/min) | 4. | 5. | 5. | 10. | 10. |
Initial hold (min) | 5. | 2. | 2. | 5. | 5. |
Final hold (min) | 30. | 10. | 10. | 15. | 15. |
I | 1074. | 1062.4 | 1064.1 | 1084. | 1084. |
Reference | Mahadevan and Farmer, 2006 | Ádámová, Orinák, et al., 2005 | Ádámová, Orinák, et al., 2005 | Avsar, Karagul-Yuceer, et al., 2004 | Avsar, Karagul-Yuceer, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 8CB-MS | DB-5 | SPB-5 | DB-5MS | DB-1 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 60. | 35. | 40. |
Tend (C) | 280. | 230. | 250. | 200. | 325. |
Heat rate (K/min) | 4. | 5. | 4. | 10. | 3. |
Initial hold (min) | 2. | 4. | 2. | 5. | |
Final hold (min) | 5. | 10. | 20. | 30. | |
I | 1086. | 1074. | 1072. | 1084. | 1051.8 |
Reference | Hierro, de la Hoz, et al., 2004 | Mahajan, Goddik, et al., 2004 | Pino, Marbot, et al., 2004 | Karagül-Yüceer, Vlahovich, et al., 2003 | Sun and Stremple, 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 | SE-54 | SE-54 | SE-54 |
Column length (m) | 30. | 15. | 25. | 25. | 25. |
Carrier gas | H2 | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.31 | 0.31 | 0.31 |
Phase thickness (μm) | 0.25 | 0.5 | |||
Tstart (C) | 35. | 30. | 35. | 35. | 35. |
Tend (C) | 200. | 225. | 230. | 230. | 250. |
Heat rate (K/min) | 10. | 10. | 4. | 4. | 4. |
Initial hold (min) | 5. | 2. | 3. | 3. | 3. |
Final hold (min) | 30. | 20. | 10. | 10. | |
I | 1070. | 1079. | 1085.74 | 1089.67 | 1076. |
Reference | Karagül-Yüceer, Cadwallader, et al., 2002 | Zhou, Wintersteen, et al., 2002 | Yin, Xiu, et al., 2001 | Yin, Xiu, et al., 2001 | Li, Wang, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | DB-5 | DB-5 | DB-5 | DB-1 |
Column length (m) | 25. | 30. | 30. | 30. | 60. |
Carrier gas | H2 | H2 | H2 | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.31 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 1. | 1. | 0.25 | |
Tstart (C) | 35. | 40. | 40. | 40. | 50. |
Tend (C) | 250. | 220. | 220. | 220. | 250. |
Heat rate (K/min) | 4. | 3. | 3. | 3. | 3.5 |
Initial hold (min) | 3. | 5. | |||
Final hold (min) | |||||
I | 1078. | 1080. | 1081. | 1082. | 1059. |
Reference | Li, Wang, et al., 1998 | Moio L., Rillo L., et al., 1996 | Moio L., Rillo L., et al., 1996 | Moio L., Rillo L., et al., 1996 | Stashenko, Prada, et al., 1996 |
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 | DB-1 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | N2 | N2 | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.235 | 0.235 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1. |
Tstart (C) | 150. | 150. | 50. | 50. | -50. |
Tend (C) | 280. | 280. | 180. | ||
Heat rate (K/min) | 3. | 3. | 10. | 5. | 6. |
Initial hold (min) | 0. | 0. | 4. | ||
Final hold (min) | |||||
I | 1056. | 1054. | 1064. | 1066. | 1048. |
Reference | Coen, Engel, et al., 1995 | Coen, Engel, et al., 1995 | Gerbino and Castello, 1995 | Gerbino and Castello, 1995 | Kaiser and Siegl, 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-5 | SE-54 | SE-54 |
Column length (m) | 30. | 25. | 25. |
Carrier gas | He | H2 | H2 |
Substrate | |||
Column diameter (mm) | 0.26 | 0.31 | 0.31 |
Phase thickness (μm) | 0.25 | 0.17 | 0.17 |
Tstart (C) | 50. | 35. | 35. |
Tend (C) | 300. | ||
Heat rate (K/min) | 6. | 2. | 2. |
Initial hold (min) | 4. | ||
Final hold (min) | 20. | ||
I | 1074. | 1075. | 1078. |
Reference | Rostad and Pereira, 1986 | Weber, 1986 | Weber, 1986 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R.,
Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein,
J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474
. [all data]
Lozano P.R., Drake M., et al., 2007
Lozano P.R.; Drake M.; Benitez D.; Cadwallader K.R.,
Instrumental and sensory characterization of heat-induced odorants in aseptically packaged soy milk,
J. Agric. Food Chem., 2007, 55, 8, 3018-3026, https://doi.org/10.1021/jf0631225
. [all data]
Schlutt B., Moran N., et al., 2007
Schlutt B.; Moran N.; Schieberle P.; Hofmann T.,
Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream,
J. Agric. Food Chem., 2007, 55, 23, 9634-9645, https://doi.org/10.1021/jf0721545
. [all data]
Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x
. [all data]
Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L.,
Retention indices as identification tool in pyrolysis-capillary gas chromatography,
J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003
. [all data]
Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R.,
Characterization of nutty flavor in cheddar cheese,
J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X
. [all data]
Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A.,
Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species,
Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001
. [all data]
Mahajan, Goddik, et al., 2004
Mahajan, S.S.; Goddik, L.; Qian, M.C.,
Aroma Compounds in Sweet Whey Powder,
J. Dairy Sci., 2004, 87, 12, 4057-4063, https://doi.org/10.3168/jds.S0022-0302(04)73547-X
. [all data]
Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269
. [all data]
Karagül-Yüceer, Vlahovich, et al., 2003
Karagül-Yüceer, Y.; Vlahovich, K.N.; Drake, M.A.; Cadwallader, K.R.,
Characteristic aroma components of rennet casein,
J. Agric. Food Chem., 2003, 51, 23, 6797-6801, https://doi.org/10.1021/jf0345806
. [all data]
Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A.,
Volatile flavor components of stored nonfat dry milk,
J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a
. [all data]
Zhou, Wintersteen, et al., 2002
Zhou, Q.; Wintersteen, C.L.; Cadwallader, K.R.,
Identification and quantification of aroma-active components that contribute to the distinct malty flavor of buckwheat honey,
J. Agric. Food Chem., 2002, 50, 7, 2016-2021, https://doi.org/10.1021/jf011436g
. [all data]
Yin, Xiu, et al., 2001
Yin, W.; Xiu, Z.; Aijin, H.,
Analysis of the volatile components in trogopterorum feces by capillary gas chromatography and gas chromatography/mass spectrometry,
Fenxi Huaxue, 2001, 29, 2, 195-198. [all data]
Li, Wang, et al., 1998
Li, W.; Wang, H.; Sun, Y.; Huang, A.; Sun, Y.,
Capillary gas chromatographic analysis of volatile components in goat feces,
Fenxi Huaxue, 1998, 26, 8, 935-939. [all data]
Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F.,
Odorous constituents of ovine milk in relationship to diet,
J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3
. [all data]
Stashenko, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R.,
HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques,
J. Hi. Res. Chromatogr., 1996, 19, 6, 353-358, https://doi.org/10.1002/jhrc.1240190609
. [all data]
Coen, Engel, et al., 1995
Coen, M.; Engel, R.; Nahrstedt, A.,
Chavicol β-D-glucoside, a phenylpropanoid heteroside, benzyl-β-D-glucoside and glycosidically bound volatiles from subspecies of Cedronella canariensis,
Phytochemistry, 1995, 40, 1, 149-155, https://doi.org/10.1016/0031-9422(95)00241-X
. [all data]
Gerbino and Castello, 1995
Gerbino, T.C.; Castello, G.,
Prediction of programmed temperature retention indices on capillary columns of different polarities,
J. Chromatogr. A, 1995, 699, 1-2, 161-171, https://doi.org/10.1016/0021-9673(95)00024-H
. [all data]
Kaiser and Siegl, 1994
Kaiser, E.W.; Siegl, W.O.,
High resolution gas chromatographic determination of the atmospheric reactivity of engine-out hydrocarbon emissions from a spark-ignited engine,
J. Hi. Res. Chromatogr., 1994, 17, 4, 264-270, https://doi.org/10.1002/jhrc.1240170414
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Weber, 1986
Weber, L.,
Utilization of the Sadtler standard RI system in micropollution analyses,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 446-451, https://doi.org/10.1002/jhrc.1240090806
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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