4-Formyl-2-Methoxyphenyl 3,4,5-Trimethoxybenzoate
[CAS# 71989-95-2]

Identification

• Name: 4-Formyl-2-Methoxyphenyl 3,4,5-Trimethoxybenzoate
• Synonyms: (4-Formyl-2-Methoxy-Phenyl) 3,4,5-Trimethoxybenzoate; 3,4,5-Trimethoxybenzoic Acid (4-Formyl-2-Methoxyphenyl) Ester; 3,4,5-Trimethoxybenzoic Acid (4-Formyl-2-Methoxy-Phenyl) Ester
• Molecular Formula: C₁₈H₁₈O₇
• Molecular Weight: 346.34
• CAS Registry Number: 71989-95-2
• EINECS: 276-269-5
• SMILES: C2=C(C(OC1=C(C=C(C=O)C=C1)OC)=O)C=C(C(=C2OC)OC)OC
• InChI: 1S/C18H18O7/c1-21-14-7-11(10-19)5-6-13(14)25-18(20)12-8-15(22-2)17(24-4)16(9-12)23-3/h5-10H,1-4H3
• InChIKey: HVTQNCJLDBFXOU-UHFFFAOYSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 481.104°C at 760 mmHg (Cal.)
• Flash point: 211.714°C (Cal.)

References

• (1): S. S. Golotvin, E. Vodopianov, R. Pol, B. A. Lefebvre, A. J. Williams, R. D. Rutkowske and T. D. Spitzer. Automated structure verification based on a combination of 1D 1H NMR and 2D 1H–13C HSQC spectra, Magn. Reson. Chem. 2007, 45, 803–813