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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Normal alkane RI, 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 | EC-1000 | Stabilwax | Polyethylene glycol (Free Fatty Acid Phase) | Polyethylene glycol (Free Fatty Acid Phase) | Polyethylene glycol (Free Fatty Acid Phase) |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | ||||
Program | not specified | 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min) | not specified | not specified | not specified |
I | 2100. | 2110. | 2080. | 2083. | 2092. |
Reference | Delabre and Bendall, 9999 | Chinnici, Guerrero, et al., 2009 | Harraca, Syed, et al., 2009 | Harraca, Syed, et al., 2009 | Harraca, Syed, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Supelcowax-10 | FFAP | SOLGel-Wax | SOLGel-Wax |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Hydrogen | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.53 | 0.53 | |
Phase thickness (μm) | 0.50 | 0.25 | 0.50 | 0.50 | |
Program | 40 0C 2 0C/min -> 12 0C/min -> 105 0C 6 0C/min -> 220 0C (20 min) | 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) | not specified | 40 0C 7 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min) | not specified |
I | 2100. | 2056. | 2063. | 2060. | 2060. |
Reference | Prat, Trias, et al., 2009 | de Simon, Estruelas, et al., 2009 | Frauendorfer and Schieberle, 2008 | Shu and Shen, 2008 | Shu and Shen, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Innowax FSC | Innowax FSC | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 60. | 60. | 60. |
Carrier gas | Helium | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min) | 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min) |
I | 2066. | 2094. | 2094. | 2072. | 2078. |
Reference | Tao, Wenlai, et al., 2008 | Kürkçüoglu, Hüsnü Can Baser, et al., 2006 | Tosun, Kürkcüoglu, et al., 2006 | Lee, Lee, et al., 2005 | Lee, Lee, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Innowax FSC | DB-FFAP | Nukol | Innowax |
Column length (m) | 30. | 60. | 30. | 25. | 60. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) | 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C |
I | 2074. | 2094. | 2077. | 2087. | 2094. |
Reference | Steinhaus and Schieberle, 2005 | Tabanca, Demirci, et al., 2005 | Buettner, 2004 | López and Dufour, 2001 | Özcan, Akgül, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | PEG-20M | DB-Wax | DB-Wax |
Column length (m) | 25. | 30. | |
Carrier gas | |||
Substrate | |||
Column diameter (mm) | 0.25 | 0.53 | |
Phase thickness (μm) | 1.0 | ||
Program | not specified | 40 0C (4 min) 4 0C/min -> 200 0C (20 min) | not specified |
I | 2048. | 2054. | 2055. |
Reference | Ding, Deng, et al., 1998 | Peng, 1996 | Peng, Yang, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F.,
Flavour ingredients from fermented dairy streams,
Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]
Chinnici, Guerrero, et al., 2009
Chinnici, F.; Guerrero, E.D.; Sonni, F.; Natali, N.; Marin, R.N.; Riponi, C.,
Gas chromatography - mass spectrometry (GC-MS) characterization of volatile compounds in quality vinegars with protected Europian geographical indication,
J. Agric. Food Chem., 2009, 57, 11, 4784-4792, https://doi.org/10.1021/jf804005w
. [all data]
Harraca, Syed, et al., 2009
Harraca, V.; Syed, Z.; Guerin, P.M.,
Olfactory and behavioural responces of tsetse flies, Glossina spp., to rumen metabolites,
J. Comp. Physiol. A, 2009, 195, 9, 815-824, https://doi.org/10.1007/s00359-009-0459-y
. [all data]
Prat, Trias, et al., 2009
Prat, C.; Trias, R.; Cullere, L.; Escudero, A.; Antico, E.; BAneras, L.,
Off-odor compounds produced in cork by isolated bacteria and fungi: a gas chromatography - mass spectrometry and gas chromatography - olfactometry study,
J. Agric. Food Chem., 2009, 57, 16, 7473-7479, https://doi.org/10.1021/jf900723s
. [all data]
de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h
. [all data]
Frauendorfer and Schieberle, 2008
Frauendorfer, F.; Schieberle, P.,
Changes in key aroma compounds of criollo cocoa beans during roasting,
J. Agric. Food Chem., 2008, 56, 21, 10244-10251, https://doi.org/10.1021/jf802098f
. [all data]
Shu and Shen, 2008
Shu, N.; Shen, H.,
Aroma-impact compounds in Lysimachia foenum-graecum extracts,
Flavour Fragr. J., 2008, 24, 1, 1-6, https://doi.org/10.1002/ffj.1908
. [all data]
Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X.,
Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry,
J. Inst. Brew., 2008, 114, 2, 172-179, https://doi.org/10.1002/j.2050-0416.2008.tb00323.x
. [all data]
Kürkçüoglu, Hüsnü Can Baser, et al., 2006
Kürkçüoglu, M.; Hüsnü Can Baser, K.; Iscan, G.; Malyer, H.; Kaynak, G.,
Composition and anticandidal activity of the essential oil of Chaerophyllum byzantinum Boiss.,
Flavour Fragr. J., 2006, 21, 1, 115-117, https://doi.org/10.1002/ffj.1539
. [all data]
Tosun, Kürkcüoglu, et al., 2006
Tosun, A.; Kürkcüoglu, M.; Dogan, E.; Duman, H.; Baser, K.H.C.,
Essential oil composition of Seseli petraeum M. Bieb. and Seseli andronakii Woron. growing in Turkey,
Flavour Fragr. J., 2006, 21, 2, 257-259, https://doi.org/10.1002/ffj.1572
. [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]
Steinhaus and Schieberle, 2005
Steinhaus, M.; Schieberle, P.,
Characterization of odorants causing an atypical aroma in white pepper powder (Piper nigrum L.) based on quantitative measurements and orthonasal breakthrough thresholds,
J. Agric. Food Chem., 2005, 53, 15, 6049-6055, https://doi.org/10.1021/jf0506030
. [all data]
Tabanca, Demirci, et al., 2005
Tabanca, N.; Demirci, B.; Kirimer, N.; Baser, K.H.C.; Bedir, E.; Khand, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella aurea, Pimpinella corymbosa, Pimpinella peregrina and Pimpinella puberula gathered from Eastern and Southern Turkey,
J. Chromatogr. A, 2005, 1097, 1-2, 192-198, https://doi.org/10.1016/j.chroma.2005.10.047
. [all data]
Buettner, 2004
Buettner, A.,
Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS),
J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b
. [all data]
López and Dufour, 2001
López, M.G.; Dufour, J.P.,
Chapter 6. Tequilas: charm analysis of Blanco, Teposado, and Anejo tequilas,
Am. Chem. Soc. Symp. Ser., 2001, 782, 62-72. [all data]
Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N.,
Essential oil composition of sea fennel (Crithmum maritimum) form Turkey,
Nahrung/Food, 2001, 45, 5, 353-356, https://doi.org/10.1002/1521-3803(20011001)45:5<353::AID-FOOD353>3.0.CO;2-4
. [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]
Peng, 1996
Peng, C.T.,
Gas chromatographic identification of aromatic hydrocarbons
in Liquid Scintillation Spectrometry, Cook, G.T.; Harkness, D.D.; MacKenzie, A.B.; Miller, B.F.; Scott, E.M., ed(s)., 1996, 221-232. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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