Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-
- Formula: C11H16O
- Molecular weight: 164.2441
- IUPAC Standard InChIKey: LSQXNMXDFRRDSJ-UHFFFAOYSA-N
- CAS Registry Number: 1076-56-8
- 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: Anisole, 2-isopropyl-5-methyl-; Methyl thymyl ether; Thymol methyl ether; Thymyl methyl ether; 3-Methoxy-p-cymene; 4-Isopropyl-3-methoxytoluene; O-Methylthymol; Methyl thymol ether; 1-Isopropyl-2-methoxy-4-methylbenzene; Methylthymol; Thymol Me ether; Thymol methyl; 2-Isopropyl-5-methylanisole; Thymyl methyl oxide; Thymol methyl ether (=methyl thymol); Methyl thymyl oxide; Isomethoxythymol; Thymol methyl oxide
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- Other data available:
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Normal alkane RI, 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-Innowax FSC | HP Innowax FSP | Innowax FSC | HP-Innowax FSC | HP-Innowax FSC |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | N2 | He | 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 | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1604. | 1604. | 1604. | 1604. | 1604. |
Reference | Tabanca N., Demirci B., et al., 2007 | Tabanca N., Demirci B., et al., 2007, 2 | Baser K.H.C., Ozek G., et al., 2006 | Tabanca, Demirci, et al., 2006 | Sezik E., Kocakulak E., et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax FSC | Carbowax 20M | HP-Innowax FSC | HP Innowax FSP | HP-Innowax |
Column length (m) | 60. | 60. | 60. | 60. | |
Carrier gas | He | N2 | 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 | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
I | 1598. | 1597. | 1604. | 1598. | 1598. |
Reference | Baser, Özek, et al., 2004 | Vinogradov, 2004 | Kaya, Demirci, et al., 2003 | Tasdemir, Demirci, et al., 2003 | Baser, Demirci, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Innowax | Innowax FSC |
Column length (m) | 60. | 60. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 |
Program | 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C | 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1604. | 1607. |
Reference | Özcan, Akgül, et al., 2001 | Kirimer, Tabanca, et al., 2000 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Baser K.H.C.; Mincsovics E.; Khan S.I.; Jacob M.R.; Wedge D.E.,
Characterization of volatile constituents of Scaligeria tripartita and studies on the antifungal activity against phytopathogenic fungi,
J. Chromatogr. B, 2007, 850, 1-2, 221-229, https://doi.org/10.1016/j.jchromb.2006.11.041
. [all data]
Tabanca N., Demirci B., et al., 2007, 2
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E.,
Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils,
J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c
. [all data]
Baser K.H.C., Ozek G., et al., 2006
Baser K.H.C.; Ozek G.; Ozek T.; Duran A.,
Composition of the essential oil of Centaurea huber-morathii Wagenitz isolated from seeds by microdistillation,
Flavour Fragr. J., 2006, 21, 3, 568-570, https://doi.org/10.1002/ffj.1620
. [all data]
Tabanca, Demirci, et al., 2006
Tabanca, N.; Demirci, B.; Ozek, T.; Kirimer, N.; Can Baser, K.H.; Bedir, E.; Khan, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella species gathered from Central and Northern Turkey,
J. Chromatogr. A, 2006, 1117, 2, 194-205, https://doi.org/10.1016/j.chroma.2006.03.075
. [all data]
Sezik E., Kocakulak E., et al., 2005
Sezik E.; Kocakulak E.; Baser K.H.C.; Ozek T.,
Composition of the essential oils of Juniperus oxycedrus subsp macrocarpa from Turkey,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 352-354, https://doi.org/10.1007/s10600-005-0149-0
. [all data]
Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F.,
Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey,
J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Kaya, Demirci, et al., 2003
Kaya, A.; Demirci, B.; Baser, K.H.C.,
The essential oil of Seseli tortuosum L. growing in Turkey,
Flavour Fragr. J., 2003, 18, 2, 159-161, https://doi.org/10.1002/ffj.1162
. [all data]
Tasdemir, Demirci, et al., 2003
Tasdemir, D.; Demirci, B.; Demirci, F.; Dönmez, A.A.; Baser, K.H.C.; Rüedi, P.,
Analysis of the Volatile Components of Five Turkish Rhododendron Species by Headspace Solid-Phase Microextraction and GC-MS (HS-SPME-GC-MS),
Z. Naturforsch., 2003, 58c, 797-803. [all data]
Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G.,
The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey,
Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036
. [all data]
Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N.,
Essential oil composition of sea fennel (Crithmum maritimum) form Turkey,
Nahrung/Food, 2001, 45, 5, 353-356, https://doi.org/10.1002/1521-3803(20011001)45:5<353::AID-FOOD353>3.0.CO;2-4
. [all data]
Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C.,
Essential oils of annual Sideritis species growing in Turkey,
Pharm. Biol., 2000, 38, 2, 106-111, https://doi.org/10.1076/1388-0209(200004)3821-1FT106
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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