Ethyl acetoacetate-4-13C

Base Information

• Chemical Name: Ethyl acetoacetate-4-13C
• CAS No.: 100548-44-5
• Molecular Formula: C6H10 O3
• Molecular Weight: 131.15
• European Community (EC) Number: 686-040-5
• DSSTox Substance ID: DTXSID40480004
• Wikidata: Q82314459
• Mol file: 100548-44-5.mol

Synonyms:Ethyl acetoacetate-4-13C;100548-44-5;ethyl 3-oxo(413C)butanoate;Ethyl 3-oxobutanoate-4-13C;SCHEMBL1331782;DTXSID40480004;Ethyl acetoacetate-4-13C, 99 atom % 13C

Chemical Property of Ethyl acetoacetate-4-13C

Chemical Property:

• Melting Point: −43 °C(lit.)
• Refractive Index: n20/D 1.419(lit.)
• Boiling Point: 181 °C(lit.)
• Flash Point: 184 °F
• PSA: 43.37000
• Density: 1.029 g/mL at 25 °C
• LogP: 0.52860
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 131.06634901
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

ETHYL ACETOACETATE-4-13C 95.00% ^*data from reagent suppliers

Safty Information:

• 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: CCOC(=O)CC(=O)[13CH3]

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