alpha,alpha-Dimethyl-beta-Ethyl-2-Benzofuranpropionic Acid
[CAS# 72236-76-1]

Identification

• Name: alpha,alpha-Dimethyl-beta-Ethyl-2-Benzofuranpropionic Acid
• Synonyms: 3-(Benzofuran-2-Yl)-2,2-Dimethyl-Pentanoic Acid; 3-(2-Benzofuranyl)-2,2-Dimethylpentanoic Acid; 3-(Benzofuran-2-Yl)-2,2-Dimethyl-Valeric Acid
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.31
• CAS Registry Number: 72236-76-1
• SMILES: C1=C(OC2=CC=CC=C12)C(C(C(=O)O)(C)C)CC
• InChI: 1S/C15H18O3/c1-4-11(15(2,3)14(16)17)13-9-10-7-5-6-8-12(10)18-13/h5-9,11H,4H2,1-3H3,(H,16,17)
• InChIKey: DKKKSMSZSDVSSS-UHFFFAOYSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 365.329°C at 760 mmHg (Cal.)
• Flash point: 174.745°C (Cal.)