Cas no 39169-78-3 (Butanoic-3-14C acid,3-oxo-, ethyl ester (9CI))
39169-78-3 structure
Product Name:Butanoic-3-14C acid,3-oxo-, ethyl ester (9CI)
CAS No:39169-78-3
MF:C6H10O3
MW:132.134343624115
CID:297442
Update Time:2024-01-27
Butanoic-3-14C acid,3-oxo-, ethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Butanoic-3-14C acid,3-oxo-, ethyl ester (9CI)
- ACETOACETIC ACID-3-14C ETHYL ESTER
- ETHYL ACETOACETATE, [3-14C]
- ETHYL[3-14C]ACETOACETATE
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- Inchi： 1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3/i5+2
- InChI Key： XYIBRDXRRQCHLP-RHRFEJLCSA-N
- SMILES： C([14C](=O)C)C(=O)OCC
Computed Properties
- Exact Mass: 132.066
- Monoisotopic Mass: 132.066
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 118
- 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: 0.2
- Topological Polar Surface Area: 43.4A^2
Experimental Properties
- Boiling Point: 69-70 °C(Press: 21 Torr)
- PSA: 43.37000
- LogP: 0.52860
Butanoic-3-14C acid,3-oxo-, ethyl ester (9CI) Security Information
- Hazardous Material transportation number：UN 2910 7
- WGK Germany：3
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Hazardous Material Identification：
- Storage Condition：2-8°C
Butanoic-3-14C acid,3-oxo-, ethyl ester (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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
39169-78-3 (Butanoic-3-14C acid,3-oxo-, ethyl ester (9CI)) Related Products
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- 4949-44-4(Ethyl 3-oxopentanoate)
- 22502-03-0(2-Methoxyethyl acetoacetate)
- 542-08-5(Isopropyl acetoacetate)
- 1779-60-8(Propyl Acetoacetate)
- 105-50-0(Diethyl 3-oxopentanedioate)
- 3249-68-1(Ethyl butyrylacetate)
- 105-45-3(methyl 3-oxobutanoate)
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