Alpha-methylcinnamaldehyde

• Catalog Number: ACM101393
• Product Name: Alpha-methylcinnamaldehyde
• CAS: 101-39-3
• Category: Heterocyclic Organic Compound
• Synonyms: 3-Phenyl-2-methyl acrolein
• IUPAC Name: (E)-2-Methyl-3-phenylprop-2-enal
• Molecular Weight: 146.19
• Molecular Formula: C₁₀H₁₀O
• Canonical SMILES: CC(=CC1=CC=CC=C1)C=O
• InChI: InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7+
• InChI Key: VLUMOWNVWOXZAU-VQHVLOKHSA-N
• Boiling Point: 148-149 °C
• Flash Point: 175 °F
• Density: 1.047 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in oils
• Appearance: yellow liquid
• EC Number: 202-938-8
• Exact Mass: 146.073164938
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Isomeric SMILES: C/C(=C\C1=CC=CC=C1)/C=O
• Monoisotopic Mass: 146.073164938
• Physical State: Liquid
• Refractive Index: n20/D 1.605(lit.)
• Safety Description: S24/25:Avoid contact with skin and eyes .
• Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
• Storage Conditions: Inert atmosphere,2-8 °C
• Topological Polar Surface Area: 17.1 Ų
• UN Number: 1993
• WGK Germany: 1