3-Ethyl-4-(2-Methyl-2-Propanyl)Benzoic Acid
[CAS# 521957-13-1]

Identification

• Name: 3-Ethyl-4-(2-Methyl-2-Propanyl)Benzoic Acid
• Synonyms: 4-(tert-butyl)-3-ethylbenzoic acid
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• CAS Registry Number: 521957-13-1
• SMILES: CCc1cc(ccc1C(C)(C)C)C(=O)O
• InChI: 1S/C13H18O2/c1-5-9-8-10(12(14)15)6-7-11(9)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)
• InChIKey: YICMPVHYTADTLT-UHFFFAOYSA-N

Properties

• Density: 1.024g/cm³ (Cal.)
• Boiling point: 305.288°C at 760 mmHg (Cal.)
• Flash point: 147.775°C (Cal.)
• Refractive index: 1.519 (Cal.)