Ethyl 4-(1,3-Benzodioxol-5-Yl)Benzoate
[CAS# 61097-62-9]

Identification

• Name: Ethyl 4-(1,3-Benzodioxol-5-Yl)Benzoate
• Synonyms: 4-Benzo[1,3]dioxol-5-yl-benzoic acid ethyl ester; ETHYL4-BENZO[1,3]DIOXOL-5-YL-BENZOATE
• Molecular Formula: C₁₆H₁₄O₄
• Molecular Weight: 270.28
• CAS Registry Number: 61097-62-9
• SMILES: O=C(OCC)c3ccc(c1ccc2OCOc2c1)cc3
• InChI: 1S/C16H14O4/c1-2-18-16(17)12-5-3-11(4-6-12)13-7-8-14-15(9-13)20-10-19-14/h3-9H,2,10H2,1H3
• InChIKey: NBIPIWDUYLFFDO-UHFFFAOYSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 408.872°C at 760 mmHg (Cal.)
• Flash point: 181.926°C (Cal.)