3,5-Dimethyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}benzoic acid
[CAS# 914223-23-7]

Identification

• Name: 3,5-Dimethyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}benzoic acid
• Synonyms: 1,2-Benzenedicarboxylic acid, 3,5-dimethyl-, 2-(1,1-dimethylethyl) ester; 2-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYLBENZOICACID; 3,5-Dimethyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}benzoesäure
• Molecular Formula: C₁₄H₁₈O₄
• Molecular Weight: 250.29
• CAS Registry Number: 914223-23-7
• SMILES: Cc1cc(c(c(c1)C(=O)O)C(=O)OC(C)(C)C)C
• InChI: 1S/C14H18O4/c1-8-6-9(2)11(10(7-8)12(15)16)13(17)18-14(3,4)5/h6-7H,1-5H3,(H,15,16)
• InChIKey: VTEODHYJQGQWQB-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 372.0±30.0°C at 760 mmHg (Cal.)
• Flash point: 134.5±18.1°C (Cal.)
• Refractive index: 1.529 (Cal.)