Cas no 15359-96-3 (Benzene,1-(1,1-dimethylethoxy)-2-methyl-)
15359-96-3 structure
Product Name:Benzene,1-(1,1-dimethylethoxy)-2-methyl-
CAS No:15359-96-3
MF:C11H16O
MW:164.244143486023
CID:234153
PubChem ID:139925
Update Time:2025-04-19
Benzene,1-(1,1-dimethylethoxy)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-(1,1-dimethylethoxy)-2-methyl-
- Ether, tert-butyl o-tolyl
- 1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
- 2-tert-Butoxytoluene
- tert-Butyl o-tolyl ether
- 1-tert-Butoxy-2-methylbenzene
- tert-butyl 2-methylphenyl ether
- NISTC15359963
- Benzene, 1-(1,1-dimethylethoxy)-2-methyl-
- MFCD03425271
- SY298710
- 2-(tert-Butoxy)toluene
- t-butoxytoluene
- SCHEMBL2737142
- DTXSID40165364
- 15359-96-3
- AKOS006276981
- LSDMDIYCJNRNBA-UHFFFAOYSA-N
- 1-tert-Butoxy-2-methylbenzene #
- 1-(TERT-BUTOXY)-2-METHYLBENZENE
-
- Inchi： 1S/C11H16O/c1-9-7-5-6-8-10(9)12-11(2,3)4/h5-8H,1-4H3
- InChI Key： LSDMDIYCJNRNBA-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1C)C(C)(C)C
Computed Properties
- Exact Mass: 164.12018
- Monoisotopic Mass: 164.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 134
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene,1-(1,1-dimethylethoxy)-2-methyl- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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