Cas no 63992-09-6 (Ethanol,(1-methylethoxy)- (9CI))
63992-09-6 structure
Product Name:Ethanol,(1-methylethoxy)- (9CI)
CAS No:63992-09-6
MF:C5H12O2
MW:104.147582054138
CID:503487
Update Time:2024-01-30
Ethanol,(1-methylethoxy)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanol,(1-methylethoxy)- (9CI)
- 2-propan-2-yloxyethanol
-
- Inchi： 1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
- InChI Key： HCGFUIQPSOCUHI-UHFFFAOYSA-N
- SMILES： C(O)COC(C)C
Computed Properties
- Exact Mass: 104.08373
- Monoisotopic Mass: 104.08373
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 35.1
- 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: 0.1
- Topological Polar Surface Area: 29.5
Experimental Properties
- Boiling Point: 144 DEG C @ 743 MM HG
Ethanol,(1-methylethoxy)- (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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