[2,2,4-Trimethyl-1-(2-Methylpropanoyloxy)Pentan-3-Yl] Benzoate
[CAS# 22527-63-5]

Identification

• Name: [2,2,4-Trimethyl-1-(2-Methylpropanoyloxy)Pentan-3-Yl] Benzoate
• Synonyms: [1-Isopropyl-2,2-Dimethyl-3-(2-Methylpropanoyloxy)Propyl] Benzoate; Benzoic Acid [1-Isopropyl-2,2-Dimethyl-3-(2-Methyl-1-Oxopropoxy)Propyl] Ester; Benzoic Acid (3-Isobutyryloxy-1-Isopropyl-2,2-Dimethyl-Propyl) Ester
• Molecular Formula: C₁₉H₂₈O₄
• Molecular Weight: 320.43
• CAS Registry Number: 22527-63-5
• EINECS: 245-054-8
• SMILES: C1=C(C(OC(C(COC(C(C)C)=O)(C)C)C(C)C)=O)C=CC=C1
• InChI: 1S/C19H28O4/c1-13(2)16(19(5,6)12-22-17(20)14(3)4)23-18(21)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3
• InChIKey: FFSJSGNXYKUSCQ-UHFFFAOYSA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 403.924°C at 760 mmHg (Cal.)
• Flash point: 191.802°C (Cal.)