Thymol
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
- 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, 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 | DB-5MS | HP-5MS | BP-1 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | N2 | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.26 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 180. | 280. | 220. | 246. | 255. |
| Heat rate (K/min) | 3. | 2. | 5. | 3. | 3. |
| Initial hold (min) | 8. | ||||
| Final hold (min) | 15. | 30. | 3. | ||
| I | 1292. | 1297. | 1275. | 1290. | 1292. |
| Reference | Angioni, Barra, et al., 2006 | Hazzit, Baaliouamer, et al., 2006 | Srivastava, Srivastava, et al., 2006 | Adams and Nguyen, 2005 | Medina, Lucero, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | BPX-5 | SPB-5 | HP-5MS | HP-5 |
| Column length (m) | 30. | 25. | 60. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | 1. |
| Tstart (C) | 60. | 60. | 60. | 50. | 40. |
| Tend (C) | 180. | 240. | 200. | 280. | 250. |
| Heat rate (K/min) | 3. | 3. | 4. | 4. | 5. |
| Initial hold (min) | 15. | 2. | 1. | ||
| Final hold (min) | 30. | 10. | |||
| I | 1287. | 1311. | 1288. | 1302. | 1296. |
| Reference | Angioni, Barra, et al., 2004 | El-Ghorab, Mansour, et al., 2004 | Gauvin, Lecomte, et al., 2004 | Baranauskiene, Venskutonis, et al., 2003 | Bouzouita, Kachouri, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | HP-5 | Methyl Silicone | SE-30 |
| Column length (m) | 30. | 30. | 30. | 50. | 25. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 70. | 70. |
| Tend (C) | 280. | 200. | 275. | 240. | 220. |
| Heat rate (K/min) | 3. | 4. | 4. | 4. | 4. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 15. | ||||
| I | 1296. | 1292. | 1298. | 1260. | 1280. |
| Reference | Özcan, Tzakou, et al., 2003 | Juliani and Simon, 2002 | Nickavar, Salehi-Sormagi, et al., 2002 | Palá-Paúl, Pérez-Alonso, et al., 2002 | Palá-Paúl, Velasco-Negueruela, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | BP-1 | HP-5 | DB-1 | DB-1 |
| Column length (m) | 25. | 30. | 25. | 28. | 30. |
| Carrier gas | N2 | N2 | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.55 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.52 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 50. | 40. |
| Tend (C) | 220. | 220. | 240. | 270. | 260. |
| Heat rate (K/min) | 5. | 5. | 4. | 4.5 | 2. |
| Initial hold (min) | 1. | 5. | |||
| Final hold (min) | 15. | 13. | 20. | ||
| I | 1281. | 1272. | 1290. | 1272. | 1284. |
| Reference | Raina, Srivastava, et al., 2002 | Shawl, Srivastava, et al., 2002 | Kitic, Palic, et al., 2001 | Nagalakshmi, Thangadurai, et al., 2001 | Senatore and Rigano, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5MS | DB-5 | BP-1 | BP-1 |
| Column length (m) | 30. | 30. | 30. | 50. | 50. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. | 60. | 60. | 60. |
| Tend (C) | 246. | 250. | 240. | 260. | 260. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 2. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | |||||
| I | 1290. | 1296. | 1292. | 1284. | 1287. |
| Reference | Adams, 2000 | Siani, Ramos, et al., 1999 | da Silva, Andrade, et al., 1999 | Vera and Chane-Ming, 1999 | Vera and Chane-Ming, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | BPX-5 | OV-101 |
| Column length (m) | 50. | 25. |
| Carrier gas | N2 | N2 |
| Substrate | ||
| Column diameter (mm) | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 60. | 50. |
| Tend (C) | 185. | 200. |
| Heat rate (K/min) | 2. | 5. |
| Initial hold (min) | 10. | |
| Final hold (min) | ||
| I | 1288. | 1280. |
| Reference | Fournier, Hadjiakhoondi, et al., 1997 | Menut, Molangui, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Angioni, Barra, et al., 2006
Angioni, A.; Barra, A.; Coroneo, V.; Dessi, S.; Cabras, P.,
Chemical composition, seasonal variability, and antifungal activity of Lavandula stoechas L. ssp. stoechas essential oils from stem/leaves and flowers,
J. Agric. Food Chem., 2006, 54, 12, 4364-4370, https://doi.org/10.1021/jf0603329
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Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104
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Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India,
Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680
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Adams and Nguyen, 2005
Adams, R.P.; Nguyen, S.,
Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS),
Phytologia, 2005, 87, 2, 96-108. [all data]
Medina, Lucero, et al., 2005
Medina, A.L.; Lucero, M.E.; Holguin, F.O.; Estell, R.E.; Posakony, J.J.; Simon, J.; O'Connell, M.A.,
Composition and antimicrobial activity of Anemopsis californica leaf oil,
J. Agric. Food Chem., 2005, 53, 22, 8694-8698, https://doi.org/10.1021/jf0511244
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Angioni, Barra, et al., 2004
Angioni, A.; Barra, A.; Cereti, E.; Barile, D.; Coïsson, J.D.; Arlorio, M.; Dessi, S.; Coroneo, V.; Cabras, P.,
Chemical composition, plant genetic differences, antimicrobial and antifungal activity investigation of the essential oil of Rosmarinus officinalis L.,
J. Agric. Food Chem., 2004, 52, 11, 3530-3535, https://doi.org/10.1021/jf049913t
. [all data]
El-Ghorab, Mansour, et al., 2004
El-Ghorab, A.H.; Mansour, A.F.; El-massry, K.F.,
Effect of extraction methods on the chemical composition and antioxidant activity of Egyptian marjoram (Majorana hortensis Moench),
Flavour Fragr. J., 2004, 19, 1, 54-61, https://doi.org/10.1002/ffj.1276
. [all data]
Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354
. [all data]
Baranauskiene, Venskutonis, et al., 2003
Baranauskiene, R.; Venskutonis, P.R.; Viskelis, P.; Dambrauskiene, E.,
Influence of nitrogen fertilizers on the yield and composition of thyme (Thymus vulgaris),
J. Agric. Food Chem., 2003, 51, 26, 7751-7758, https://doi.org/10.1021/jf0303316
. [all data]
Bouzouita, Kachouri, et al., 2003
Bouzouita, N.; Kachouri, F.; Hamdi, M.; Chaabouni, M.M.,
Antimicrobial activity of essential oils from Tunisian aromatic plants,
Flavour Fragr. J., 2003, 18, 5, 380-383, https://doi.org/10.1002/ffj.1200
. [all data]
Özcan, Tzakou, et al., 2003
Özcan, M.; Tzakou, O.; Couladis, M.,
Essential oil composition of Turkish herbal tea (Salvia aucheri Bentham var. canescens Boiss. Heldr.),
Flavour Fragr. J., 2003, 18, 4, 325-327, https://doi.org/10.1002/ffj.1229
. [all data]
Juliani and Simon, 2002
Juliani, H.R.; Simon, J.E.,
Antioxidant acitivity of basil
in Trends in new crops and new uses, Janick,J.; Whipkey,A., ed(s)., ASHA Press, Alexandria, Va, 2002, 575-579. [all data]
Nickavar, Salehi-Sormagi, et al., 2002
Nickavar, B.; Salehi-Sormagi, M.H.; Amin, Gh.; Daneshtalab, M.,
Steam volatiles of Vaccinium arctostaphylos,
Pharm. Biol., 2002, 40, 6, 448-449, https://doi.org/10.1076/phbi.40.6.448.8449
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 2002
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Sanz, J.,
Essential oil composition of Schizogyne glaberrima DC, a species endemic to the Canary Islands,
Flavour Fragr. J., 2002, 17, 1, 13-14, https://doi.org/10.1002/ffj.1043
. [all data]
Palá-Paúl, Velasco-Negueruela, et al., 2002
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Essential oil composition of the aerial parts of Cachrys sicula L.,
Flavour Fragr. J., 2002, 17, 1, 64-68, https://doi.org/10.1002/ffj.1042
. [all data]
Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K.,
Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India,
Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053
. [all data]
Shawl, Srivastava, et al., 2002
Shawl, A.S.; Srivastava, S.K.; Syamasundar, K.V.; Tripathi, S.; Raina, V.K.,
Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India,
Flavour Fragr. J., 2002, 17, 3, 165-168, https://doi.org/10.1002/ffj.1074
. [all data]
Kitic, Palic, et al., 2001
Kitic, D.; Palic, R.; Ristic, M.; Sojanovic, G.; Jovanovic, T.,
The volatile constituents of Calamintha sylvatica Bromf. subsp. sylvatica,
Flavour Fragr. J., 2001, 16, 4, 257-258, https://doi.org/10.1002/ffj.995
. [all data]
Nagalakshmi, Thangadurai, et al., 2001
Nagalakshmi, M.A.H.; Thangadurai, D.; Anuradha, T.; Pullaiah, T.,
Essential oil constituents of Melia dubia, a wild relative of Azadirachta indica growing in the Eastern Ghats of Peninsular India,
Flavour Fragr. J., 2001, 16, 4, 241-244, https://doi.org/10.1002/ffj.986
. [all data]
Senatore and Rigano, 2001
Senatore, F.; Rigano, D.,
Essential oil of two Lippia spp. (Verbenaceae) growing wild in Guatemala,
Flavour Fragr. J., 2001, 16, 3, 169-171, https://doi.org/10.1002/ffj.972
. [all data]
Adams, 2000
Adams, R.P.,
The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3
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Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O.,
Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium,
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da Silva, Andrade, et al., 1999
da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Luz, A.I.R.; da Silva, J.D.; Maia, J.G.S.,
The essential oils of Lantana camara L. occurring in North Brazil,
Flavour Fragr. J., 1999, 14, 4, 208-210, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<208::AID-FFJ811>3.0.CO;2-F
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Vera and Chane-Ming, 1999
Vera, R.R.; Chane-Ming, J.,
Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island,
Food Chem., 1999, 66, 2, 143-145, https://doi.org/10.1016/S0308-8146(98)00018-1
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Fournier, Hadjiakhoondi, et al., 1997
Fournier, G.; Hadjiakhoondi, A.; Leboeuf, M.; Cavé, A.; Charles, B.,
Essential oils of annonaceae. Part VII. Essential oils of Monanthotaxis declina (Sprague) verdcourt and Unonopsis guatterioides R. E. Fries,
Flavour Fragr. J., 1997, 12, 2, 95-98, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<95::AID-FFJ611>3.0.CO;2-Z
. [all data]
Menut, Molangui, et al., 1995
Menut, C.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B. Menut.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B.,
Aromatic plants of tropical Central Africa. 23. Chemical composition of leaf essential oils of Eucalyptus goniocalyx F. Muell. and Eucalyptus patens Benth. grown in Rwanda,
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. [all data]
Notes
Go To: Top, Kovats' 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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