Cas no 54350-31-1 (Benzene,1,3-dimethyl-2-(1-methylethoxy)-)
54350-31-1 structure
Product Name:Benzene,1,3-dimethyl-2-(1-methylethoxy)-
CAS No:54350-31-1
MF:C11H16O
MW:164.244143486023
CID:384672
PubChem ID:143154
Update Time:2025-04-19
Benzene,1,3-dimethyl-2-(1-methylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3-dimethyl-2-(1-methylethoxy)-
- 1,3-dimethyl-2-propan-2-yloxybenzene
- SCHEMBL104735
- 2-Isopropoxy-1,3-dimethyl-benzene
- 54350-31-1
- Benzene, 1,3-dimethyl-2-(1-methylethoxy)-
- DTXSID70202736
-
- Inchi： 1S/C11H16O/c1-8(2)12-11-9(3)6-5-7-10(11)4/h5-8H,1-4H3
- InChI Key： VSZHMZHUNQBLCO-UHFFFAOYSA-N
- SMILES： O(C1C(C)=CC=CC=1C)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: 121
- 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: 3.8
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene,1,3-dimethyl-2-(1-methylethoxy)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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