2-(4-Isobutylphenyl)Propionaldehyde
[CAS 51407-46-6]

Identification

• Name: 2-(4-Isobutylphenyl)Propionaldehyde
• Synonyms: 2-(4-Isobutylphenyl)Propanal; 2-(4-Isobutylphenyl)Propionaldehyde
• Molecular Formula: C₁₃H₁₈O
• Molecular Weight: 190.28
• CAS Registry Number: 51407-46-6
• EINECS: 257-180-0
• SMILES: C1=C(C(C=O)C)C=CC(=C1)CC(C)C
• InChI: 1S/C13H18O/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,9-11H,8H2,1-3H3
• InChIKey: DMZVZANOMJGHKO-UHFFFAOYSA-N

Properties

• Density: 0.937g/cm³ (Cal.)
• Boiling point: 276.865°C at 760 mmHg (Cal.)
• Flash point: 126.026°C (Cal.)

References

• (1): Giacomini Daria. Highly efficient asymmetric reduction of arylpropionic aldehydes by Horse Liver Alcohol Dehydrogenase through dynamic kinetic resolution, Chemical Communications, 2007