Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-
- Formula: C11H16O
- Molecular weight: 164.2441
- IUPAC Standard InChIKey: YVLHTQPPMZOCOW-UHFFFAOYSA-N
- CAS Registry Number: 6379-73-3
- 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: p-Cymene-2-ol methyl ether; p-Cymene, 2-methoxy-; Anisole, 5-isopropyl-2-methyl-; Carvacrol methyl ether; Ether, carvacryl methyl; Methyl carvacrol; Methyl carvacryl ether; 2-Methoxy-4-(1-methylethyl)toluene; Carvacryl methyl oxide; Carvacryl methyl ether; methyl isothymol; Carvacrol Me ether; methyl-ether Carvacrol; Carvacrol methyl; 5-Isopropyl-2-methylanisole
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- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | DB-1 | SLB-5 MS | SLB-5 MS | DB-5 | DB-5 MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Hydrogen | Helium | Helium | Helium | |
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 | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | not specified | not specified | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | 80 0C (1.5 min) 4 pC/min -> 180 0C 10 0C/min -> 300 0C (10 min) |
I | 1224. | 1239. | 1243. | 1232. | 1237. |
Reference | Albano, Lima, et al., 2012 | Mondello, 2012 | Mondello, 2012 | Courtois, Paine, et al., 2009 | Silva, Doria, et al., 2008 |
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 | SE-52 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | |
Program | not specified | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | not specified | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 45C => 3C/min => 175C => 15C/min => 300C(10min) |
I | 1230. | 1272. | 1272. | 1245. | 1224. |
Reference | Liolios, Laouer, et al., 2007 | Jordan, Martinez, et al., 2006 | Martinez, Madrid, et al., 2006 | Tognolini, Barocelli, et al., 2006 | Belhattab, Larous, 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 | DB-5 | DB-1 | HP-5 | SE-30 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 60C(4min) => 6C/min => 240 => 10C/min => 280C | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | not specified |
I | 1224. | 1244. | 1224. | 1272. | 1230. |
Reference | Faleio, Miguel, et al., 2005 | Letchamo, Ward, et al., 2004 | Miguel, Simões, et al., 2004 | Sotomayor, Martínez, et al., 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | CBP-1 | DB-1 |
Column length (m) | 30. | |
Carrier gas | H2 | |
Substrate | ||
Column diameter (mm) | 0.25 | |
Phase thickness (μm) | 0.25 | |
Program | not specified | 40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min) |
I | 1287. | 1224. |
Reference | Juliani, Biurrun, et al., 2000 | da Silva, Pedro, et al., 2000 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Albano, Lima, et al., 2012
Albano, S.M.; Lima, A.S.; Miguel, M.G.; Pedro, L.G.; Barroso, J.G.; Figueiredo, A.C.,
Antioxidant, anti-5-lipoxygenase and antiacetylcholinesterase activities of essential oils and decoction water of some aromatic plants,
Rec. Nat. Prod., 2012, 6, 1, 35-48. [all data]
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
Silva, Doria, et al., 2008
Silva, W.L.; Doria, G.A.A.; Maia, R.T.; Nunes, R.S.; Carvalho, G.A.; Blank, A.F.; Alves, P.B.; Marcal, R.M.; Cavalcanti, S.C.H.,
Effects of essential oils on Aedes aegypti larvae: alternatives to environmentally safe insecticides,
Bioresource Technol., 2008, 99, 8, 3251-3255, https://doi.org/10.1016/j.biortech.2007.05.064
. [all data]
Liolios, Laouer, et al., 2007
Liolios, C.; Laouer, H.; Boulaacheb, N.; Gortzi, O.; Chinou, I.,
Chemical Composition and Antimicrobial Activity of the Essential Oil of Algherian Phlomis bovei De Noe subsp. bovei,
Molecules, 2007, 12, 4, 772-781, https://doi.org/10.3390/12040772
. [all data]
Jordan, Martinez, et al., 2006
Jordan, M.J.; Martinez, R.M.; Goodner, K.L.; Baldwin, E.A.; Sotomayor, J.A.,
Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition,
Ind. Crops Prod., 2006, 24, 3, 253-263, https://doi.org/10.1016/j.indcrop.2006.06.011
. [all data]
Martinez, Madrid, et al., 2006
Martinez, S.; Madrid, J.; Hernández, F.; Megias, M.D.; Sotomayor, J.A.; Jordan, M.J.,
Effect of thyme essential oils (Thymus hyemalis and Thymus zygis) and Monensin on in Vitro Ruminal degradation and volatile fatty acid production,
J. Agric. Food Chem., 2006, 54, 18, 6598-6602, https://doi.org/10.1021/jf060985p
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Belhattab, Larous, et al., 2005
Belhattab, R.; Larous, L.; Figueiredo, A.C.; Santos, P.A.G.; Barroso, J.G.; Pedro, L.G.,
Origanum glandulosum Desf. grown wild in Algeria: essential oil composition and glycosidic bound volatiles,
Flavour Fragr. J., 2005, 20, 2, 209-212, https://doi.org/10.1002/ffj.1387
. [all data]
Faleio, Miguel, et al., 2005
Faleio, L.; Miguel, G.; Gomes, S.; Costa, L.; Venancio, F.; Teixeira, A.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.,
Antibacterial and Antioxidant Activities of Essential Oils Isolated from Thymbra capitata L. (Cav.) and Origanum vulgare L.,
J. Agric. Food Chem., 2005, 53, 21, 8162-8168, https://doi.org/10.1021/jf0510079
. [all data]
Letchamo, Ward, et al., 2004
Letchamo, W.; Ward, W.; Heard, B.; Heard, D.,
Essential oil of Valeriana officinalis L. cultivars and their antimicrobial activity as influenced by harvesting time under commercial organic cultivation,
J. Agric. Food Chem., 2004, 52, 12, 3915-3919, https://doi.org/10.1021/jf0353990
. [all data]
Miguel, Simões, et al., 2004
Miguel, G.; Simões, M.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Carvalho, L.,
Composition and antioxidant activities of the essential oils of Thymus caespititius, Thymus camphoratus and Thymus mastichina,
Food Chem., 2004, 86, 2, 183-188, https://doi.org/10.1016/j.foodchem.2003.08.031
. [all data]
Sotomayor, Martínez, et al., 2004
Sotomayor, J.A.; Martínez, R.M.; García, A.J.; Jordán, M.J.,
Thymus zygis Subsp. Gracilis: watering level effect on phytomass production and essential oil quality,
J. Agric. Food Chem., 2004, 52, 17, 5418-5424, https://doi.org/10.1021/jf0496245
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Juliani, Biurrun, et al., 2000
Juliani, H.R., Jr.; Biurrun, F.; Koroch, A.R.; Juliani, H.R.; Zygadlo, J.A.,
Chemical constituents of the essential oil of Lippia laxibracteata (Verbenaceae),
Planta Med., 2000, 66, 6, 567-568, https://doi.org/10.1055/s-2000-8612
. [all data]
da Silva, Pedro, et al., 2000
da Silva, J.A.; Pedro, L.G.; Santos, P.A.G.; Figueiredo, A.C.; Barroso, J.G.; Tenreiro, R.P.; Ribeiro, C.A.; Deans, S.G.; Looman, A.; Scheffer, J.J.C.,
Essential oils from seven populations of Juniperus brevifolia (Seub.) Antoine, an endemic species of the Azores,
Flavour Fragr. J., 2000, 15, 1, 31-39, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<31::AID-FFJ862>3.0.CO;2-C
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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