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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | RTX-Wax | RTX-Wax | RTX-Wax | BP-20 | HP-Wax |
Column length (m) | 60. | 60. | 60. | 50. | 30. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 230. | 230. | 230. | 220. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 5. |
Initial hold (min) | 10. | ||||
Final hold (min) | 30. | 35. | 35. | 20. | |
I | 1603. | 1584. | 1594. | 1597. | 1606. |
Reference | Bendahou, Muselli, et al., 2008 | Paolini J., Costa J., et al., 2007 | Paolini, Muselli, et al., 2007 | Duquesnoy, Dinh, et al., 2006 | Flamini, Tebano, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-20 | Supelcowax-10 | RTX-Wax | HP-20M | HP-20M |
Column length (m) | 50. | 30. | 60. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.2 | 0.22 | 0.2 | 0.2 |
Phase thickness (μm) | 0.25 | 0.2 | 0.25 | 0.2 | 0.2 |
Tstart (C) | 60. | 70. | 60. | 70. | 70. |
Tend (C) | 220. | 220. | 230. | 180. | 180. |
Heat rate (K/min) | 2. | 3. | 2. | 4. | 5. |
Initial hold (min) | 4. | 4. | |||
Final hold (min) | 20. | 15. | 35. | 10. | 10. |
I | 1601. | 1601. | 1594. | 1576. | 1576. |
Reference | Gonny, Cavaleiro, et al., 2006 | Pinto, Pina-Vaz, et al., 2006 | Paolini, Costa, et al., 2005 | Skocibusic and Bezic, 2004 | Radonic and Milso, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | HP20Wax | HP-20M | Supelcowax-10 |
Column length (m) | 50. | 50. | 60. |
Carrier gas | He | He | He |
Substrate | |||
Column diameter (mm) | 0.2 | 0.20 | 0.25 |
Phase thickness (μm) | 0.2 | 0.20 | 0.25 |
Tstart (C) | 70. | 70. | 60. |
Tend (C) | 180. | 180. | 230. |
Heat rate (K/min) | 4. | 4. | 5. |
Initial hold (min) | 4. | 4. | 5. |
Final hold (min) | 10. | 10. | 20. |
I | 1576. | 1576. | 1585. |
Reference | Skocibusic and Bezic, 2003 | Milos, Radonic, et al., 2001 | Granicher, Christen, et al., 1995 |
Comment | 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.
Bendahou, Muselli, et al., 2008
Bendahou, M.; Muselli, A.; Grignon-Dubois, M.; Benyoucef, M.; Desjobert, J.-M.; Bernardini, A.-F.; Costa, J.,
Antimicrobial activity and chemical composition of Origanum glandulosum Desf. essential oil and extract obtained by microwave extraction: Comparison with hydrodistillation,
Food Chem., 2008, 106, 1, 132-139, https://doi.org/10.1016/j.foodchem.2007.05.050
. [all data]
Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F.,
Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR,
Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977
. [all data]
Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
Thymol derivatives from essential oil of Doronicum corsicum L.,
Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824
. [all data]
Duquesnoy, Dinh, et al., 2006
Duquesnoy, E.; Dinh, N.H.; Castola, V.; Casanova, J.,
Composition of a Pyrolytic oil from Cupressus funebris Endl. of Vietnamese origin,
Flavour Fragr. J., 2006, 21, 3, 453-457, https://doi.org/10.1002/ffj.1676
. [all data]
Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A.,
A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Pinto, Pina-Vaz, et al., 2006
Pinto, E.; Pina-Vaz, C.; Salgueiro, L.; Goncalves, M.J.; Costa-de-Oliveira, S.; Cavaleiro, C.; Palmeira, A.; Rodrigues, A.; Martinez-de-Oliveira, J.,
Antifuncal activity of the essential oil Thymus pulegioides on Candida, Aspergillus and dermatophyte species,
Journal of Medical Microbiology, 2006, 55, 10, 1367-1373, https://doi.org/10.1099/jmm.0.46443-0
. [all data]
Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A.,
Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131
. [all data]
Skocibusic and Bezic, 2004
Skocibusic, M.; Bezic, N.,
Phytochemical Analysis and In vitro Antimicrobial Activity of Two Satureja Species Essential Oils,
Phytother. Res., 2004, 18, 12, 967-970, https://doi.org/10.1002/ptr.1489
. [all data]
Radonic and Milso, 2003
Radonic, A.; Milso, M.,
Chemical Composition and In Vitro Evaluation of Antioxidant Effect of Free Volatile Compounds From Satureja montana L.,
Free Radical Research, 2003, 37, 6, 673-679, https://doi.org/10.1080/1071576031000105643
. [all data]
Skocibusic and Bezic, 2003
Skocibusic, M.; Bezic, N.,
Chemical composition and antidiarrhoeal activities of winter savory (Satureja montana L.) essential oil,
Pharm. Biol., 2003, 41, 8, 622-626, https://doi.org/10.1080/13880200390502180
. [all data]
Milos, Radonic, et al., 2001
Milos, M.; Radonic, A.; Bezic, N.; Dunkic, V.,
Localities and seasonal variations in the chemical composition of essential oils of Satureja montana L. and S. cuneifolia Ten,
Flavour Fragr. J., 2001, 16, 3, 157-160, https://doi.org/10.1002/ffj.965
. [all data]
Granicher, Christen, et al., 1995
Granicher, F.; Christen, P.; Kapetanidis, I.,
Essential oils from normal and hairy roots of valeriana officinalis var. sambucifolia,
Phytochemistry, 1995, 40, 5, 1421-1424, https://doi.org/10.1016/0031-9422(95)00492-P
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.