3-(Methoxycarbonyl)-5-(2-Methyl-2-Propanyl)Benzoic Acid
[CAS# 377731-29-8]

Identification

• Name: 3-(Methoxycarbonyl)-5-(2-Methyl-2-Propanyl)Benzoic Acid
• Synonyms: 5-tert-Butyl-isophthalic acid monomethyl ester; 5-TERT-BUTYL-ISOPHTHALICACIDMONOMETHYLESTER
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.26
• CAS Registry Number: 377731-29-8
• SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)OC)C(=O)O
• InChI: 1S/C13H16O4/c1-13(2,3)10-6-8(11(14)15)5-9(7-10)12(16)17-4/h5-7H,1-4H3,(H,14,15)
• InChIKey: KUPYAQNSGMRTJB-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 372.0±42.0°C at 760 mmHg (Cal.)
• Flash point: 138.2±21.4°C (Cal.)
• Refractive index: 1.525 (Cal.)