Cas no 13605-05-5 (Benzene,1,3,5-trimethyl-2-(1-methylethoxy)-)
13605-05-5 structure
Product Name:Benzene,1,3,5-trimethyl-2-(1-methylethoxy)-
CAS No:13605-05-5
MF:C12H18O
MW:178.270723819733
CID:179879
PubChem ID:139515
Update Time:2025-04-19
Benzene,1,3,5-trimethyl-2-(1-methylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3,5-trimethyl-2-(1-methylethoxy)-
- 1,3,5-trimethyl-2-propan-2-yloxybenzene
- 1,3,5-trimethyl-2-(propan-2-yloxy)benzene
- isopropyl mesityl ether
- Benzene, 1,3,5-trimethyl-2-(1-methylethoxy)-
- SCHEMBL12517837
- 13605-05-5
- DTXSID90159637
-
- Inchi： 1S/C12H18O/c1-8(2)13-12-10(4)6-9(3)7-11(12)5/h6-8H,1-5H3
- InChI Key： MXDPTGJZVQFULC-UHFFFAOYSA-N
- SMILES： O(C(C)C)C1C(C)=CC(C)=CC=1C
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: 141
- 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
- Topological Polar Surface Area: 9.2
- XLogP3: 3.8
Experimental Properties
- Density: 0.911
- Boiling Point: 239.8°Cat760mmHg
- Flash Point: 89.4°C
- Refractive Index: 1.49
- PSA: 9.23
Benzene,1,3,5-trimethyl-2-(1-methylethoxy)- Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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