Ethyl acetoacetate-1,2,3,4-13C4

Base Information

• Chemical Name: Ethyl acetoacetate-1,2,3,4-13C4
• CAS No.: 84508-55-4
• Molecular Formula: C₆H₁₀O₃
• Molecular Weight: 134.1
• European Community (EC) Number: 685-826-5
• DSSTox Substance ID: DTXSID80466786
• Nikkaji Number: J812.181H
• Wikidata: Q82293419
• Mol file: 84508-55-4.mol

Synonyms:84508-55-4;Ethyl acetoacetate-1,2,3,4-13C4;Ethyl Acetoacetate-13C4;ethyl 3-oxo(1,2,3,4-13C4)butanoate;Ethyl 3-oxobutanoate-1,2,3,4-13C4;SCHEMBL1330988;DTXSID80466786;HY-Y1093S1;Ethyl acetoacetate-1,2,3,4-13C?;AKOS030242868;Ethyl acetoacetate(1,2,3,4-13c4);99 atom% 13C, 98% (CP);CS-0541879;Ethyl acetoacetate-1,2,3,4-13C4, 99 atom % 13C, 99% (CP)

Chemical Property of Ethyl acetoacetate-1,2,3,4-13C4

Chemical Property:

• Appearance/Colour: Liquid
• Melting Point: -43 °C
• Refractive Index: n20/D 1.419(lit.)
• Boiling Point: 181 °C(lit.)
• Flash Point: 184 °F
• PSA: 43.37000
• Density: 1.015 g/cm³
• LogP: 0.52860
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.07641352
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl Acetoacetate-13C4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)C
• Isomeric SMILES: CCO[13C](=O)[13CH2][13C](=O)[13CH3]
• Uses: Ethyl Acetoacetate-13C4 is the isotope labelled analog of Ethyl Acetoacetate (E899545(P)), a chemical intermediate used in the production of various analgesics, antibiotics and antimalarial agents. ETHYL ACETOACETATE (1,2,3,4-13C4) is the isotope labelled analog of Ethyl Acetoacetate, an chemical intermediate used in the production of various analgesics, antibiotics and antimalarial agents.