Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-
- Formula: C11H16O
- Molecular weight: 164.2441
- IUPAC Standard InChI: InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3
- 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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- Other data available:
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Normal alkane 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 | Supelcowax | HP-Innowax | Innowax | HP-20M | HP-20M |
| Column length (m) | 60. | 30. | 30. | 50. | 50. |
| Carrier gas | Nitrogen | N2 | N2 | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.35 | 0.25 | 0.25 | 0.20 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.20 | 0.20 |
| Tstart (C) | 60. | 50. | 50. | 70. | 70. |
| Tend (C) | 230. | 240. | 280. | 250. | 180. |
| Heat rate (K/min) | 4. | 5. | 9. | 4. | 4. |
| Initial hold (min) | 1. | 3. | 4. | 4. | |
| Final hold (min) | 40. | 4. | 3. | 10. | 10. |
| I | 1609. | 1586. | 1614. | 1576. | 1576. |
| Reference | Gauvin-Bialecki and Marodon, 2009 | Cheraif, Ben Jannet, et al., 2007 | Abdelwahed, Hayder, et al., 2006 | Bezic, Skocibusic, et al., 2005 | Kulisic, Radonic, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Carbowax 20M | Innowax | Carbowax 20M |
| Column length (m) | 30. | 60. | 50. | 60. | 25. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.25 | 0.30 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 35. | 60. | 60. | 40. |
| Tend (C) | 180. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | |
| Initial hold (min) | 10. | 5. | |||
| Final hold (min) | 40. | ||||
| I | 1583. | 1604. | 1614. | 1614. | 1601. |
| Reference | Lee, Umano, et al., 2005 | Palá-Paúl, Brophy, et al., 2004 | Vernin, Lageot, et al., 2001 | Kaya, Baser, et al., 1999 | Nykanen, 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Gauvin-Bialecki and Marodon, 2009
Gauvin-Bialecki, A.; Marodon, C.,
Essential oil of Ayapana triplinervis from Reunion island: a good natural source of thymohydroquinone dimethyl ether,
Biochem. Systematics Ecol., 2009, 36, 11, 853-858, https://doi.org/10.1016/j.bse.2008.09.006
. [all data]
Cheraif, Ben Jannet, et al., 2007
Cheraif, I.; Ben Jannet, H.; Hammami, M.; Khouja, M.L.; Mighri, Z.,
Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene,
Biochem. Syst. Ecol., 2007, 35, 12, 813-820, https://doi.org/10.1016/j.bse.2007.05.009
. [all data]
Abdelwahed, Hayder, et al., 2006
Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K.,
Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire,
Flavour Fragr. J., 2006, 21, 1, 129-133, https://doi.org/10.1002/ffj.1542
. [all data]
Bezic, Skocibusic, et al., 2005
Bezic, N.; Skocibusic, M.; Dunkic, V.,
Phytochemical Composition and Antimicrobial Activityof Satureja montana L. and Satureja cunefolia Ten. Essential Oils,
Acta Bot. Croat., 2005, 64, 2, 313-322. [all data]
Kulisic, Radonic, et al., 2005
Kulisic, T.; Radonic, A.; Milos, M.,
Inhibition of Lard Oxidation by Fractions of Different Essential Oil,
Grasas y Aceites, 2005, 56, 4, 284-291, https://doi.org/10.3989/gya.2005.v56.i4.94
. [all data]
Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056
. [all data]
Palá-Paúl, Brophy, et al., 2004
Palá-Paúl, J.; Brophy, J.J.; Goldsack, R.J.; Fontaniella, B.,
Analysis of the volatile components of Lavandula canariensis (L.) Mill., a Canary Islands endemic species, growing in Australia,
Biochem. Syst. Ecol., 2004, 32, 1, 55-62, https://doi.org/10.1016/S0305-1978(03)00177-7
. [all data]
Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C.,
Analysis of the essential oil of Lippia graveolens HBK from El Salvador,
Flavour Fragr. J., 2001, 16, 3, 219-226, https://doi.org/10.1002/ffj.984
. [all data]
Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
. [all data]
Nykanen, 1986
Nykanen, I.,
High Resolution Gas Chromatographic - Mass Spectrometric determination of the Flavour Composition of Wild Majoram (Origanum vulgare L.) Cultivated in Finland,
Z. Lebensm Unters Forsch, 1986, 183, 4, 267-272, https://doi.org/10.1007/BF01087742
. [all data]
Notes
Go To: Top, Normal alkane 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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