Thymol
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
- CAS Registry Number: 89-83-8
- 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, 5-methyl-2-(1-methylethyl)-; p-Cymen-3-ol; Thyme camphor; 2-Isopropyl-5-methylphenol; 3-Hydroxy-p-cymene; 3-Methyl-6-isopropylphenol; 5-Methyl-2-isopropylphenol; 6-Isopropyl-m-cresol; 6-Isopropyl-3-methylphenol; m-Cresol, 6-isopropyl-; p-Cymene, 3-hydroxy-; Phenol, 2-isopropyl-5-methyl-; Thymic acid; 1-Hydroxy-5-methyl-2-isopropylbenzene; 1-Methyl-3-hydroxy-4-isopropylbenzene; 3-p-Cymenol; 3-Hydroxy-1-methyl-4-isopropylbenzene; 5-Methyl-2-isopropyl-1-phenol; 5-Methyl-2-(1-methylethyl)phenol; Isopropyl-m-cresol; m-Thymol; 2-Hydroxy-1-isopropyl-4-methylbenzene; NSC 11215; 2-Isopropyl-5-methylphenol (thymol); Isopropyl cresol
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Kovats' 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 | HP-5MS | HP-5MS | DB-5MS | BP-1 | HP-5 |
Column length (m) | 30. | 30. | 30. | 25. | 30. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40C(3min) => 3C/min => 160C => 10C/min => 200C | 50C(2min) => 2C/min => 160C(5min) => 50C/min => 270C (6min) | 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min) | 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) | 40C (3min) => 3C/min => 180C => 30C/min => 270C (5min) |
I | 1306. | 1299. | 1284. | 1268. | 1290. |
Reference | Alissandrakis E., Tarantilis P.A., et al., 2007 | Mevy, Bousquet-Melou, et al., 2006 | Tuberoso, Kowalczyk, et al., 2005 | Dwivedi, Khan, et al., 2004 | Daferera, Ziogas, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | OV-1 | AT-5 | SE-30 |
Column length (m) | 30. | 60. | 2.9 |
Carrier gas | He | He | |
Substrate | Chromosorb W HMDS (80-100 mesh) | ||
Column diameter (mm) | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | |
Program | 44C(4min) => 3C/min => 74C => 6C/min => 134C => 12C/min => 312C | 60 C (1 min) 4 K/min -> 200 C 10 K/min -> 280 C | not specified |
I | 1288. | 1308. | 1271. |
Reference | El-Shazly, Dorai, et al., 2002 | Rojas and Usubillaga, 2000 | Grzybowski, Lamparczyk, et al., 1980 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Alissandrakis E., Tarantilis P.A., et al., 2007
Alissandrakis E.; Tarantilis P.A.; Harizanis P.C.; Polissiou M.,
Comparison of the volatile composition in thyme honeys from several origins in Greece,
J. Agric. Food Chem., 2007, 55, 20, 8152-8157, https://doi.org/10.1021/jf071442y
. [all data]
Mevy, Bousquet-Melou, et al., 2006
Mevy, J.P.; Bousquet-Melou, A.; Greff, S.; Millogo, J.; Fernandez, C.,
Chemical composition of the volatile oil of Laggera aurita Schulz from Burkina-Faso,
Biochem. Syst. Ecol., 2006, 34, 11, 815-818, https://doi.org/10.1016/j.bse.2006.06.005
. [all data]
Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P.,
Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All.,
J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913
. [all data]
Dwivedi, Khan, et al., 2004
Dwivedi, S.; Khan, M.; Srivastava, S.K.; Syamasunnder, K.V.; Srivastava, A.,
Essential oil composition of different accessions of Mentha × piperita L. grown on the northern plains of India,
Flavour Fragr. J., 2004, 19, 5, 437-440, https://doi.org/10.1002/ffj.1333
. [all data]
Daferera, Ziogas, et al., 2003
Daferera, D.J.; Ziogas, B.N.; Polissiou, M.G.,
The effectiveness of plant essential oils on the growth of Botrytis cinerea, Fusarium sp. and Clavibacter michiganensis subsp. michiganensis,
Crop Prot., 2003, 22, 1, 39-44, retrieved from http://www.elsevier.com/gej-ng/10/25/40/84/25/31/article.pdf, https://doi.org/10.1016/S0261-2194(02)00095-9
. [all data]
El-Shazly, Dorai, et al., 2002
El-Shazly, A.; Dorai, G.; Wink, M.,
Composition and antimicrobial activity of essential oil and hexane-ether extract of Tanacetum santolinoides (DC.) Feinbr. and Fertig,
Z. Naturforsch., 2002, 57c, 620-623. [all data]
Rojas and Usubillaga, 2000
Rojas, L.B.; Usubillaga, A.,
Composition of the essential oil fo Satureja brownei (SW.) Briq. from Venezuela,
Flavour Fragr. J., 2000, 15, 1, 21-22, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<21::AID-FFJ861>3.0.CO;2-G
. [all data]
Grzybowski, Lamparczyk, et al., 1980
Grzybowski, J.; Lamparczyk, H.; Nasal, A.; Radecki, A.,
Relationship between the retention indices of phenols on polar and non-polar stationary phases,
J. Chromatogr., 1980, 196, 2, 217-223, https://doi.org/10.1016/S0021-9673(00)80441-0
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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