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
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Other names: 2-Isopropyl-1-methoxy-4-methylbenzene; Isothymol methyl ether; Anisole, 2-isopropyl-4-methyl-; 2-isopropyl-4-methylanisole
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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)

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; T_end: 250. C

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; T_end: 180. C

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

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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]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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