Cas no 5333-74-4 (ethyl 3,3-dimethyl-2-oxobutanoate)
5333-74-4 structure
Product Name:ethyl 3,3-dimethyl-2-oxobutanoate
CAS No:5333-74-4
MF:C8H14O3
MW:158.194962978363
CID:1581987
PubChem ID:220085
Update Time:2025-04-21
ethyl 3,3-dimethyl-2-oxobutanoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3,3-dimethyl-2-oxobutanoate
- NSC-2341
- Butanoic acid, 3,3-dimethyl-2-oxo-, ethyl ester
- NSC2341
- 3,3-dimethyl-2-oxo-butyric acid ethyl ester
- SCHEMBL3853357
- 5333-74-4
- DTXSID40277436
- ethyl trimethyl-pyruvate
- DA-05145
-
- Inchi： 1S/C8H14O3/c1-5-11-7(10)6(9)8(2,3)4/h5H2,1-4H3
- InChI Key： LPUVHKRZLUSGEQ-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(C)(C)C)=O)=O
Computed Properties
- Exact Mass: 158.09432
- Monoisotopic Mass: 158.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 165
- 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: 1.8
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 0.981
- Boiling Point: 198.8°C at 760 mmHg
- Flash Point: 73°C
- Refractive Index: 1.42
- PSA: 43.37
- LogP: 1.16470
ethyl 3,3-dimethyl-2-oxobutanoate Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
5333-74-4 (ethyl 3,3-dimethyl-2-oxobutanoate) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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