2-Methyl-2-Propanyl 4-(4-Oxo-2-Butanyl)Benzoate
[CAS# 389625-40-5]

Identification

• Name: 2-Methyl-2-Propanyl 4-(4-Oxo-2-Butanyl)Benzoate
• Synonyms: BENZOIC ACID, 4-(1-METHYL-3-OXOPROPYL)-, 1,1-DIMETHYLETHYL ESTER (9CI); tert-butyl 4-(4-oxobutan-2-yl)benzoate
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32
• CAS Registry Number: 389625-40-5
• SMILES: O=C(OC(C)(C)C)c1ccc(cc1)C(CC=O)C
• InChI: 1S/C15H20O3/c1-11(9-10-16)12-5-7-13(8-6-12)14(17)18-15(2,3)4/h5-8,10-11H,9H2,1-4H3
• InChIKey: WXUAEXFJCVRKND-UHFFFAOYSA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 337.423°C at 760 mmHg (Cal.)
• Flash point: 144.998°C (Cal.)
• Refractive index: 1.501 (Cal.)