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, custom temperature program
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 | DB-5MS | SE-54 | VF-5MS | VF-5MS | VF-5MS |
Column length (m) | 30. | 25. | 50. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 70C => 5C/min => 85C(1min) => 3C/min => 165C => 10C/min => 280C(3min) | 40C(1min) => 40C/min => 60C(1min) => 4C/min => 140C => 20C/min => 240C(5min) | 60C(2min) => 30C/min => 100C => 1C/min => | 60C(2min) => 30C/min => 100C => 2C/min => | 60C(2min) => 30C/min => 100C => 4C/min => |
I | 1093. | 1080. | 1077.3 | 1076. | 1075.3 |
Reference | Varlet, Serot, et al., 2007 | Frauendorfer and Schieberle, 2006 | Mjøs, Meier, et al., 2006 | Mjøs, Meier, et al., 2006 | Mjøs, Meier, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | HP-5MS | LM-5 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min) | 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min) | 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min) | 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min) | 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min) |
I | 1093. | 1086. | 1081.7 | 1077. | 1077. |
Reference | Varlet V., Knockaert C., et al., 2006 | Bonaiti, Irlinger, et al., 2005 | Ré-Poppi and Santiago-Silva, 2005 | Munk, Munch, et al., 2000 | Munk, Munch, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | SE-54 | SE-54 | SE-54 | 5 % Phenyl methyl siloxane |
Column length (m) | 30. | 25. | 30. | 25. |
Carrier gas | He | H2 | He | |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.31 | 0.32 | 0.31 |
Phase thickness (μm) | 0.25 | 0.52 | ||
Program | 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min) | not specified | 35C (2min) => 40C/min => 50C (2min) => 4C/min => 250C (10min) | 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
I | 1076. | 1075. | 1086. | 1075. |
Reference | Zimmermann and Schieberle, 2000 | Li, Wang, et al., 1998 | Kubícková and Grosch, 1997 | Yasuhara, Shiraishi, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Varlet, Serot, et al., 2007
Varlet, V.; Serot, T.; Cardinal, M.; Knockaert, C.; Prost, C.,
Olfactometric Determination of the Most Potent Odor-Active Compounds in Salmon Muscle (Salmo salar) Smoked by Using Four Smoke Generation Techniques,
J. Agric. Food Chem., 2007, 55, 11, 4518-4525, https://doi.org/10.1021/jf063468f
. [all data]
Frauendorfer and Schieberle, 2006
Frauendorfer, F.; Schieberle, P.,
Identification of the key aroma compounds in Cocoa powder based on molecular sensoly correlations,
J. Agr. Food Chem., 2006, 54, 15, 5521-5529, https://doi.org/10.1021/jf060728k
. [all data]
Mjøs, Meier, et al., 2006
Mjøs, S.A.; Meier, S.; Boitsov, S.,
Alkylphenol retention indices,
J. Chromatogr. A, 2006, 1123, 1, 98-105, https://doi.org/10.1016/j.chroma.2006.05.002
. [all data]
Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T.,
Comparison of odor-active volatile compounds of fresh and smoked salmon,
J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p
. [all data]
Bonaiti, Irlinger, et al., 2005
Bonaiti, C.; Irlinger, F.; Spinnler, H.E.; Engel, E.,
An iterative sensory procedure to select odor-active associations in complex consortia of microorganisms: application to the construction of a cheese model,
J. Dairy Sci., 2005, 88, 5, 1671-1684, https://doi.org/10.3168/jds.S0022-0302(05)72839-3
. [all data]
Ré-Poppi and Santiago-Silva, 2005
Ré-Poppi, N.; Santiago-Silva, M.,
Polycyclic aromatic hydrocarbons and other selected organic compounds in ambient air of Campo Grande City, Brazil,
Atmos. Environ., 2005, 39, 16, 2839-2850, https://doi.org/10.1016/j.atmosenv.2004.10.006
. [all data]
Munk, Munch, et al., 2000
Munk, S.; Munch, P.; Stahnke, L.; Adler-Nissen., J.; Schieberle, P.,
Primary odorants of laundry soiled with sweat/sebum: influence of lipase on the odor profile,
Journal of Surfactants and Detergents, 2000, 3, 4, 505-515, https://doi.org/10.1007/s11743-000-0150-z
. [all data]
Zimmermann and Schieberle, 2000
Zimmermann, M.; Schieberle, P.,
Important odorants of sweet bell pepper powder (Capsicum annuum cv. annuum): differences between samples of Hungarian and Morrocan origin,
Eur. Food Res. Technol., 2000, 211, 3, 175-180, https://doi.org/10.1007/s002170050019
. [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]
Kubícková and Grosch, 1997
Kubícková, J.; Grosch, W.,
Evaluation of potent odorants of camembert cheese by dilution and concentration techniques,
Int. Dairy J., 1997, 7, 1, 65-70, https://doi.org/10.1016/S0958-6946(96)00044-1
. [all data]
Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y.,
Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry,
J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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