Cas no 85665-71-0 (1,2-ethanediyl 3-methyl-2-butenoate)
85665-71-0 structure
Product Name:1,2-ethanediyl 3-methyl-2-butenoate
CAS No:85665-71-0
MF:C12H18O4
MW:226.268924236298
CID:721768
Update Time:2023-11-18
1,2-ethanediyl 3-methyl-2-butenoate Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,3-methyl-, 1,2-ethanediyl ester (9CI)
- 1,2-ethanediyl 3-methyl-2-butenoate
- Bis(3-methyl-2-butenoic acid)1,2-ethanediyl ester
- CID 92036268
- Einecs 288-162-0
- 2-Butenoic acid, 3-methyl-, 1,2-ethanediyl ester (9CI)
-
- Inchi： 1S/C12H18O4/c1-9(2)7-11(13)15-5-6-16-12(14)8-10(3)4/h7-8H,5-6H2,1-4H3
- InChI Key： KYKBPWWXHYEFPY-UHFFFAOYSA-N
- SMILES： O(C(/C=C(\C)/C)=O)CCOC(/C=C(\C)/C)=O
Computed Properties
- Exact Mass: 294.183109
- Monoisotopic Mass: 294.183109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 273
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6
Experimental Properties
- Density: 1.026
- Boiling Point: 300.3°C at 760 mmHg
- Flash Point: 141.1°C
- Refractive Index: 1.465
1,2-ethanediyl 3-methyl-2-butenoate Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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