2-Phenyl-2-butenal

• CAS: 4411-89-6
• Catalog Number: ACM4411896
• Category: Other Products
• Molecular Weight: 146.19
• Molecular Formula: C₁₀H₁₀O
• Synonyms: (2Z)-2-Phenyl-2-butenal
• IUPAC Name: (E)-2-Phenylbut-2-enal
• Canonical SMILES: CC=C(C=O)C1=CC=CC=C1
• InChI: InChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2-
• InChI Key: DYAOGZLLMZQVHY-MBXJOHMKSA-N
• Boiling Point: 177 °C
• Flash Point: 222 °F
• Density: 1.034 g/mL at 25 °C(lit.)
• Solubility: Soluble in oils; Insoluble in water
• Exact Mass: 146.073164938
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Isomeric SMILES: C/C=C(/C=O)\C1=CC=CC=C1
• Monoisotopic Mass: 146.073164938
• Odor: Green, floral, woody
• Physical State: Liquid
• Refractive Index: n20/D 1.561(lit.)
• Safety Description: 26-36
• Topological Polar Surface Area: 17.1 Ų
• WGK Germany: 3