2-[4-(3-Methyl-2-buten-1-yl)phenyl]propanoic acid
[CAS# 95833-52-6]

Identification

• Name: 2-[4-(3-Methyl-2-buten-1-yl)phenyl]propanoic acid
• Synonyms: 2-(4-(3-methyl-2-butenyl)phenyl)propionic acid; 2-(4-(3-methylbut-2-en-1-yl)phenyl)propanoic acid; TA 60
• Molecular Formula: C₁₄H₁₈O₂
• Molecular Weight: 218.29
• CAS Registry Number: 95833-52-6
• SMILES: O=C(O)C(c1ccc(cc1)C\C=C(/C)C)C
• InChI: 1S/C14H18O2/c1-10(2)4-5-12-6-8-13(9-7-12)11(3)14(15)16/h4,6-9,11H,5H2,1-3H3,(H,15,16)
• InChIKey: YZPIMMMQMYKRAK-UHFFFAOYSA-N

Properties

• Density: 1.04g/cm³ (Cal.)
• Boiling point: 342.988°C at 760 mmHg (Cal.)
• Flash point: 239.973°C (Cal.)