3-Phenylpropyl 2,4,5-trimethoxybenzoate
[CAS# 836669-76-2]

Identification

• Name: 3-Phenylpropyl 2,4,5-trimethoxybenzoate
• Synonyms: Benzoic acid, 2,4,5-trimethoxy-, 3-phenylpropyl ester
• Molecular Formula: C₁₉H₂₂O₅
• Molecular Weight: 330.38
• CAS Registry Number: 836669-76-2
• SMILES: COc1cc(OC)c(cc1OC)C(=O)OCCCc2ccccc2
• InChI: 1S/C19H22O5/c1-21-16-13-18(23-3)17(22-2)12-15(16)19(20)24-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3
• InChIKey: ABYVASMNFFCUIH-UHFFFAOYSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 472.332°C at 760 mmHg (Cal.)
• Flash point: 207.012°C (Cal.)
• Refractive index: 1.539 (Cal.)