Methyl (2E,4E)-5-Phenyl-2,4-Pentadienoate
[CAS 1516-24-1]

Identification

• Name: Methyl (2E,4E)-5-Phenyl-2,4-Pentadienoate
• Synonyms: (2E,4E)-5-Phenyl-penta-2,4-dienoic; (2E,4E)-5-Phenyl-penta-2,4-dienoic; acid methyl ester; (2E,4E)-5-PHENYL-PENTA-2,4-DIENOICACIDMETHYLESTER
• Molecular Formula: C₁₂H₁₂O₂
• Molecular Weight: 188.22
• CAS Registry Number: 1516-24-1
• SMILES: COC(=O)/C=C/C=C/C1=CC=CC=C1
• InChI: 1S/C12H12O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h2-10H,1H3/b9-5+,10-6+
• InChIKey: OXWQBUHCJNXFLV-NXZHAISVSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 311.7±21.0°C at 760 mmHg (Cal.)
• Flash point: 187.4±13.2°C (Cal.)
• Refractive index: 1.568 (Cal.)

References

• (1): Michael E. O'Donnell, Jonathan Sanvoisin and David Gani. Serine–threonine protein phosphatase inhibitors derived from nodularin: role of the 2-methyl and 3-diene groups in the Adda residue and the effect of macrocyclic conformational restraint, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 1696.