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Ethyl acetoacetate (1,3-13C2)

Catalog Number ACM77504735-1
CAS 77504-73-5
Structure Structure
Synonyms Ethyl 3-Oxobutanoate-1,3-13C2; Ethyl acetoacetate-[1,3-13C2]
IUPAC Name ethyl 3-oxo(1,3-13C2)butanoate
Molecular Weight 132.13
Molecular Formula 13C2C4H10O3
InChI InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3/i5+1,6+1
InChI Key XYIBRDXRRQCHLP-MPOCSFTDSA-N
Boiling Point 181 °C (358 °F) (lit.)
Melting Point -43 °C (-45 °F) (lit.)
Flash Point 73.5 °C (164.3 °F)-closed cup
Purity 98%
Density 1.029 g/mL at 20 °C (68 °F) (lit.)
Solubility Water: 130 g/L at 20 °C (68 °F)
Appearance Colourless liquid
Chemical Formula CH3*COCH2*COOCH2CH3
Isomeric SMILES CCO[13C](=O)C[13C](=O)C
Isotopic Enrichment 99 atom % 13C
Stability Stable if stored under recommended conditions.
Unlabeled CAS 141-97-9
Unlabeled Synonyms Acetoacetic ester
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