3-(4-Tert-Butyl-Phenyl)-Propenal
[CAS# 84434-23-1]

Identification

• Name: 3-(4-Tert-Butyl-Phenyl)-Propenal
• Synonyms: (E)-3-(4-Tert-Butylphenyl)Acrolein; P-Tert-Butylcinnamaldehyde
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.27
• CAS Registry Number: 84434-23-1
• EINECS: 282-823-7
• SMILES: C1=CC(=CC=C1/C=C/C=O)C(C)(C)C
• InChI: 1S/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3/b5-4+
• InChIKey: ICSATJUWLAEQQU-SNAWJCMRSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 289.921°C at 760 mmHg (Cal.)
• Flash point: 117.057°C (Cal.)

References

• (1): Paul N. Davey, Stewart A. Forsyth, H. Q. Nimal Gunaratne, Christopher Hardacre, Angela McKeown, S. E. Jane McMath, David W. Rooney and Kenneth R. Seddon. Synthesis of 3-(4-tert-butylphenyl)-2-propen-1-one, a precursor to Lilial, via an aldol condensation in an ionic liquid, Green Chem., 2005, 7, 224.