Ethyl 2-benzylacetoacetate

• Catalog Number: ACM620791
• Product Name: Ethyl 2-benzylacetoacetate
• CAS: 620-79-1
• Category: Heterocyclic Organic Compound
• Synonyms: 2-Benzyl-3-oxobutanoic acid ethyl ester
• IUPAC Name: Ethyl 2-benzyl-3-oxobutanoate
• Molecular Weight: 220.26
• Molecular Formula: C₁₃H₁₆O₃
• Canonical SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)C
• InChI: InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
• InChI Key: XDWQYMXQMNUWID-UHFFFAOYSA-N
• Boiling Point: 276 °C
• Flash Point: >230 °F
• Density: 1.036 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in organic solvents, oils
• Appearance: Light yellow liquid
• EC Number: 210-651-4
• Exact Mass: 220.109944368
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Monoisotopic Mass: 220.109944368
• Odor: Balsamic, floral-fruity odor
• Physical State: Oily liquid
• Refractive Index: n20/D 1.5(lit.)
• Safety Description: S24/25
• Topological Polar Surface Area: 43.4 Ų
• WGK Germany: 3