Cas no 54350-32-2 (tert-butyl 2,6-dimethylphenyl ether)
54350-32-2 structure
Product Name:tert-butyl 2,6-dimethylphenyl ether
CAS No:54350-32-2
MF:C12H18O
MW:178.270723819733
CID:1588500
PubChem ID:143155
Update Time:2025-04-21
tert-butyl 2,6-dimethylphenyl ether Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 2,6-dimethylphenyl ether
- Benzene, 2-(1,1-dimethylethoxy)-1,3-dimethyl-
- 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene
- DTXSID30202737
- 54350-32-2
- SCHEMBL16170099
- Benzene,2-(1,1-dimethylethoxy)-1,3-dimethyl-
-
- Inchi： 1S/C12H18O/c1-9-7-6-8-10(2)11(9)13-12(3,4)5/h6-8H,1-5H3
- InChI Key： UQVPPPWBLBBYTE-UHFFFAOYSA-N
- SMILES： O(C1C(C)=CC=CC=1C)C(C)(C)C
Computed Properties
- Exact Mass: 178.13584
- Monoisotopic Mass: 178.135765
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 147
- 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: 4
- Topological Polar Surface Area: 9.2
Experimental Properties
- Density: 0.911
- Boiling Point: 231.3°C at 760 mmHg
- Flash Point: 78.1°C
- Refractive Index: 1.489
- PSA: 9.23
tert-butyl 2,6-dimethylphenyl ether Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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