Benzene, 1-methoxy-4-methyl-2-(1-methylethyl)-
- Formula: C11H16O
- Molecular weight: 164.2441
- IUPAC Standard InChI: InChI=1S/C11H16O/c1-8(2)10-7-9(3)5-6-11(10)12-4/h5-8H,1-4H3
- IUPAC Standard InChIKey: CVUAHQAQHICPSF-UHFFFAOYSA-N
- CAS Registry Number: 31574-44-4
- 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: 2-Isopropyl-1-methoxy-4-methylbenzene; Isothymol methyl ether; Anisole, 2-isopropyl-4-methyl-; 2-isopropyl-4-methylanisole
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 157561 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1244. | Mevy, Bousquet-Melou, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => 2C/min => 160C(5min) => 50C/min => 270C (6min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1215. | Yassa, Akhani, et al., 2003 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 1576. | Mastelic, Milos, et al., 2000 | 50. m/0.20 mm/0.20 μm, He, 70. C @ 4. min, 4. K/min; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 1595. | Tabanca N., Demirci B., et al., 2007 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP Innowax FSP | 1595. | Tasdemir, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mevy, Bousquet-Melou, et al., 2006
Mevy, J.P.; Bousquet-Melou, A.; Greff, S.; Millogo, J.; Fernandez, C.,
Chemical composition of the volatile oil of Laggera aurita Schulz from Burkina-Faso,
Biochem. Syst. Ecol., 2006, 34, 11, 815-818, https://doi.org/10.1016/j.bse.2006.06.005
. [all data]
Yassa, Akhani, et al., 2003
Yassa, N.; Akhani, H.; Aqaahmadi, M.; Salimian, M.,
Essential oils from two endemic species of Apiaceae from Iran,
Z. Naturforsch. C:, 2003, 58, 459-463. [all data]
Mastelic, Milos, et al., 2000
Mastelic, J.; Milos, M.; Jerkovic, I.,
Essential oil and glycosidically bound volatiles of Origanum vulgare L. ssp. hirtum (Link) letswaart,
Flavour Fragr. J., 2000, 15, 3, 190-194, https://doi.org/10.1002/1099-1026(200005/06)15:3<190::AID-FFJ890>3.0.CO;2-O
. [all data]
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]
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]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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