Phenol, 3-methyl-
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChIKey: RLSSMJSEOOYNOY-UHFFFAOYSA-N
- CAS Registry Number: 108-39-4
- 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: m-Cresol; m-Cresole; m-Cresylic acid; m-Hydroxytoluene; m-Kresol; m-Methylphenol; m-Oxytoluene; m-Toluol; 1-Hydroxy-3-methylbenzene; 3-Cresol; 3-Hydroxytoluene; 3-Methylphenol; meta-Cresol; Cresol, meta; Rcra waste number U052; Cresol,m-; NSC 8768
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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 | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | TR-1 | TR-1 | HP-5 MS | VF-5 MS | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 35. | 60. | 40. |
Tend (C) | 300. | 300. | 300. | 280. | 250. |
Heat rate (K/min) | 5. | 5. | 3. | 6. | 8. |
Initial hold (min) | 5. | 1. | 2. | ||
Final hold (min) | 15. | 3. | 5. | ||
I | 1057. | 1057. | 1083. | 1074. | 1100. |
Reference | Gruzdev, Kuzivanov, et al., 2012 | Gruzdev, Kuzivanov, et al., 2012, 2 | Kotowska, Zalikowski, et al., 2012 | Souza, Re-Poppi, et al., 2012 | Czerny, Brueckner, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 MS | ZB-5 | DB-5 | DB-1 | DB-1 |
Column length (m) | 25. | 30. | 60. | 60. | 60. |
Carrier gas | Helium | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 60. | 35. | 35. |
Tend (C) | 250. | 280. | 250. | 230. | 230. |
Heat rate (K/min) | 10. | 6. | 4. | 2. | 2. |
Initial hold (min) | 1. | 1. | 5. | 4. | 4. |
Final hold (min) | 9. | 25. | 25. | ||
I | 1093. | 1081. | 1075. | 1051. | 1055. |
Reference | Majcher, Lawrowski, et al., 2010 | Harrison and Priest, 2009 | Fadel, Mageed, 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-1 | HP-5 | Cross-Linked Methylsilicone | SPB-5 | OV-101 |
Column length (m) | 50. | 25. | 25. | 30. | 15. |
Carrier gas | N2 | N2 | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.2 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.33 | 0.25 | |
Tstart (C) | 90. | 30. | 70. | 60. | 35. |
Tend (C) | 240. | 280. | 250. | 250. | 250. |
Heat rate (K/min) | 4. | 3. | 4. | 4. | 6. |
Initial hold (min) | 2. | ||||
Final hold (min) | 20. | ||||
I | 1055. | 1075. | 1055. | 1075. | 1048. |
Reference | Velasco-Negueruela, Pérez-Alonso, et al., 2005 | Shafi, Nambiar, et al., 2004 | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | Pino, Marbot, et al., 2002 | Friedrich, Acree, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | AT-1 | SPB-5 | BP-1 | HP-1 | SE-54 |
Column length (m) | 60. | 50. | 25. | 30. | |
Carrier gas | He | He | He | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.22 | 0.32 | 0.25 | |
Phase thickness (μm) | 1. | 0.75 | 0.25 | ||
Tstart (C) | 50. | 40. | 50. | 35. | 60. |
Tend (C) | 300. | 200. | 200. | 250. | 250. |
Heat rate (K/min) | 10. | 3. | 5. | 4. | 2. |
Initial hold (min) | 2. | 5. | |||
Final hold (min) | 2. | ||||
I | 1090. | 1071. | 1047. | 1048. | 1091. |
Reference | Kelling, 2001 | Poligné, Collignan, et al., 2001 | Health Safety Executive, 2000 | Ong, Acree, et al., 1998 | Kollmannsberger, Nitz, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Ultra-1 |
Column length (m) | 25. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | 0.25 |
Tstart (C) | 80. |
Tend (C) | 260. |
Heat rate (K/min) | 3. |
Initial hold (min) | |
Final hold (min) | |
I | 1044. |
Reference | Okumura, 1991 |
Comment | 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]
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]
Souza, Re-Poppi, et al., 2012
Souza, J.B.G.; Re-Poppi, N.; Raposo, J.L.(Jr).,
Characterization of pyroligneous acid used in agriculture by gas chromatography - mass spectrometry (in press),
J. Braz. Chem. Soc., 2012, 00, 00, 1-8. [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]
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]
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]
Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Lotfy, S.N.,
Quality and flavour stability of coffee substitute prepared by extrusion of wheat germ and chicory roots,
Amino Acids, 2006, https://doi.org/10.1007/s007260200008
. [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]
Shafi, Nambiar, et al., 2004
Shafi, P.M.; Nambiar, M.K.G.; Clery, R.A.; Sarma, Y.R.; Veena, S.S.,
Composition and antifungal activity of the oil of Artemisia nilagirica (Clarke) Pamp,
J. Essent. Oil Res., 2004, 16, 4, 377-379, https://doi.org/10.1080/10412905.2004.9698748
. [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]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]
Friedrich, Acree, et al., 2001
Friedrich, J.E.; Acree, T.E.; Lavin, E.H.,
Selecting standards for gas chromatography - olfactometry,
Am. Chem. Soc. Symp. Ser., 2001, 782, 148-155. [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]
Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H.,
Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.),
J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t
. [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]
Notes
Go To: Top, Normal alkane 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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