Cas no 940-49-8 (Benzene,[(2-methylpropoxy)methyl]-)
![Benzene,[(2-methylpropoxy)methyl]- structure](https://ossimg.kuujia.com/scimg/1000/940-49-8x500.png)
940-49-8 structure
Product Name:Benzene,[(2-methylpropoxy)methyl]-
Benzene,[(2-methylpropoxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,[(2-methylpropoxy)methyl]-
- 2-methylpropoxymethylbenzene
- alpha-isobutoxytoluene
- AI3-02698
- i-butyl benzyl ether
- EINECS 213-372-6
- [(2-Methylpropoxy)methyl]benzene
- NSC-406202
- DN3UVV5552
- 940-49-8
- NSC406202
- Benzene, ((2-methylpropoxy)methyl)-
- Benzene, [(2-methylpropoxy)methyl]-
- SCHEMBL2234953
- NS00039945
- (isobutoxymethyl)benzene
- DTXSID10240192
- NSC 406202
- benzyl isobutyl ether
-
- Inchi： 1S/C11H16O/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
- InChI Key： ADHMUPZYLITZIH-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)CC(C)C
Computed Properties
- Exact Mass: 164.120115
- Monoisotopic Mass: 164.120115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 104
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 9.2
Experimental Properties
- Density: 0.9233
- Boiling Point: 212°C (estimate)
- Flash Point: 79.2°C
- Refractive Index: 1.4826
Benzene,[(2-methylpropoxy)methyl]- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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