Cas no 6963-40-2 (Butanoic acid, 3-oxo-,2-ethoxyethyl ester)
6963-40-2 structure
Product Name:Butanoic acid, 3-oxo-,2-ethoxyethyl ester
Butanoic acid, 3-oxo-,2-ethoxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-oxo-,2-ethoxyethyl ester
- 2-ethoxyethyl acetoacetate
- NSC 53776
- 2-ethoxyethyl 3-oxobutanoate
- AI3-06509
- DTXSID90989739
- EINECS 230-160-9
- JKUOURUUCRHADD-UHFFFAOYSA-N
- NSC53776
- NS00043735
- Butanoic acid, 3-oxo-, 2-ethoxyethyl ester
- ethoxyethyl acetoacetate
- 6963-40-2
- NSC-53776
- SCHEMBL768824
-
- Inchi： 1S/C8H14O4/c1-3-11-4-5-12-8(10)6-7(2)9/h3-6H2,1-2H3
- InChI Key： JKUOURUUCRHADD-UHFFFAOYSA-N
- SMILES： O(CC)CCOC(CC(C)=O)=O
Computed Properties
- Exact Mass: 174.089
- Monoisotopic Mass: 174.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 153
- 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: 52.6A^2
Experimental Properties
- Density: 1.039
- Boiling Point: 247.1°C at 760 mmHg
- Flash Point: 102.6°C
- Refractive Index: 1.422
- PSA: 52.60000
- LogP: 0.54520
Butanoic acid, 3-oxo-,2-ethoxyethyl ester Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
6963-40-2 (Butanoic acid, 3-oxo-,2-ethoxyethyl ester) Related Products
- 13195-66-9(3-Oxodecanoic Acid Ethyl Ester)
- 19150-71-1(Butanoic acid, 3-oxo-,octadecyl ester)
- 42598-96-9(Heptyl 3-Oxobutanoate)
- 13562-84-0(Hexyl Acetoacetate)
- 4949-44-4(Ethyl 3-oxopentanoate)
- 22502-03-0(2-Methoxyethyl acetoacetate)
- 1779-60-8(Propyl Acetoacetate)
- 105-50-0(Diethyl 3-oxopentanedioate)
- 3249-68-1(Ethyl butyrylacetate)
- 16436-00-3(Octyl 3-Oxobutanoate)
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