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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Van Den Dool and Kratz RI, 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 | Stabilwax | DB-Wax | Supelcowax-10 | DB-Wax | Supelcowax-10 |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | N2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 0.5 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 35. | 67. | 35. |
Tend (C) | 230. | 240. | 195. | 235. | 195. |
Heat rate (K/min) | 4. | 7. | 2. | 2.7 | 2. |
Initial hold (min) | 2. | 5. | 5. | ||
Final hold (min) | 10. | 5. | 90. | 30. | 90. |
I | 2129. | 2091. | 2097. | 2109. | 2097. |
Reference | Fang and Qian, 2005 | Högnadóttir and Rouseff, 2003 | Chung, Yung, et al., 2002 | Claudela, Dirningera, et al., 2002 | Chung, Yung, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | He | He | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.235 | 0.235 |
Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 0.5 | 0.5 |
Tstart (C) | 67. | 50. | 50. | 100. | 100. |
Tend (C) | 240. | 230. | 230. | ||
Heat rate (K/min) | 5. | 2. | 2. | 10. | 5. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 2067. | 2081. | 2083. | 2109.09 | 2102.63 |
Reference | Escudero and Etiévant, 1999 | Coen, Engel, et al., 1995 | Coen, Engel, et al., 1995 | Gerbino and Castello, 1995 | Gerbino and Castello, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 60. | 30. |
Carrier gas | N2 | N2 | He | He |
Substrate | ||||
Column diameter (mm) | 0.235 | 0.235 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | |
Tstart (C) | 50. | 50. | 50. | 40. |
Tend (C) | 230. | 200. | ||
Heat rate (K/min) | 10. | 5. | 2. | 2. |
Initial hold (min) | 10. | |||
Final hold (min) | 60. | |||
I | 2109.90 | 2100.00 | 2099. | 2081. |
Reference | Gerbino and Castello, 1995 | Gerbino and Castello, 1995 | Shiratsuchi, Shimoda, et al., 1994 | Umano, Hagi, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Fang and Qian, 2005
Fang, Y.; Qian, M.,
Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA),
Flavour Fragr. J., 2005, 20, 1, 22-29, https://doi.org/10.1002/ffj.1551
. [all data]
Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L.,
Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2003, 998, 1-2, 201-211, https://doi.org/10.1016/S0021-9673(03)00524-7
. [all data]
Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S.,
Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry,
Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7
. [all data]
Claudela, Dirningera, et al., 2002
Claudela, P.; Dirningera, N.; Etievant, P.,
Effects of water on gas chromatographic column efficiency measurements applied to on-column injections of volatile aroma compounds,
J. Sep. Sci., 2002, 25, 5-6, 365-370, https://doi.org/10.1002/1615-9314(20020401)25:5/6<365::AID-JSSC365>3.0.CO;2-Y
. [all data]
Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S.,
Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods,
J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a
. [all data]
Escudero and Etiévant, 1999
Escudero, A.; Etiévant, P.,
Effect of antioxidants on the flavor characteristics and the gas chromatography/olfactometry profiles of champagne extracts,
J. Agric. Food Chem., 1999, 47, 8, 3303-3308, https://doi.org/10.1021/jf9813790
. [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]
Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y.,
Volatile flavor compounds in spray-dried skim milk powder,
J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028
. [all data]
Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.),
J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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