Phenol, 2-methyl-
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N
- CAS Registry Number: 95-48-7
- 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: o-Cresol; o-Hydroxytoluene; o-Methylphenol; o-Methylphenylol; o-Oxytoluene; 1-Hydroxy-2-methylbenzene; 2-Cresol; 2-Hydroxytoluene; 2-Methylphenol; Orthocresol; o-Kresol; Rcra waste number U052; o-Cresylic acid; 1-Methyl-2-hydroxybenzene; NSC 23076; o-Toluol
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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 | CP Sil 8 CB | RTX-5 | CP-Sil 8CB-MS | HP-5MS | DB-1 |
Column length (m) | 50. | 30. | 60. | 30. | 30. |
Carrier gas | N2 | He | He | ||
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. | 60. | 40. |
Tend (C) | 220. | 300. | 280. | 280. | 325. |
Heat rate (K/min) | 4. | 5. | 4. | 3. | 3. |
Initial hold (min) | 5. | 2. | 2. | ||
Final hold (min) | 30. | 10. | 5. | ||
I | 1052. | 1042.7 | 1071. | 1073. | 1031.1 |
Reference | Mahadevan and Farmer, 2006 | Ádámová, Orinák, et al., 2005 | Hierro, de la Hoz, et al., 2004 | Mimica-Dukic, Kujundzic, 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 | CP Sil 8 CB | CP Sil 8 CB | 5 % Phenyl methyl siloxane | OV-1 | DB-1 |
Column length (m) | 50. | 50. | 25. | 30. | |
Carrier gas | He | N2 | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 60. | 60. | 80. | 35. | 150. |
Tend (C) | 220. | 220. | 300. | 300. | 280. |
Heat rate (K/min) | 4. | 4. | 20. | 8. | 3. |
Initial hold (min) | 5. | 5. | 3. | ||
Final hold (min) | 30. | 30. | 0. | ||
I | 1054. | 1080. | 1042. | 1029.7 | 1032. |
Reference | Chevance and Farmer, 1999 | Chevance and Farmer, 1999 | Climent and Miranda, 1996 | Gautzsch and Zinn, 1996 | Coen, Engel, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-1 | DB-5 |
Column length (m) | 30. | 30. | 60. | 30. |
Carrier gas | N2 | N2 | He | |
Substrate | ||||
Column diameter (mm) | 0.235 | 0.235 | 0.32 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 |
Tstart (C) | 50. | 50. | -50. | 50. |
Tend (C) | 180. | 300. | ||
Heat rate (K/min) | 10. | 5. | 6. | 6. |
Initial hold (min) | 0. | 0. | 4. | 4. |
Final hold (min) | 20. | |||
I | 1042. | 1044. | 1029. | 1055. |
Reference | Gerbino and Castello, 1995 | Gerbino and Castello, 1995 | Kaiser and Siegl, 1994 | Rostad and Pereira, 1986 |
Comment | MSDC-RI | 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.
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]
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]
Mimica-Dukic, Kujundzic, et al., 2003
Mimica-Dukic, N.; Kujundzic, S.; Sokovic, M.; Couladis, M.,
Essential oil composition and antifungal activity of Foeniculum vulgare Mill. obtained by different distillation conditions,
Phytother. Res., 2003, 17, 4, 368-371, https://doi.org/10.1002/ptr.1159
. [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]
Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Identification of major volatile odor compounds in frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d
. [all data]
Climent and Miranda, 1996
Climent, M.J.; Miranda, M.A.,
Gas chromatographic - mass spectrometric study of photodegradation of carbamate pesticides,
J. Chromatogr. A, 1996, 738, 2, 225-231, https://doi.org/10.1016/0021-9673(96)00084-2
. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [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]
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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