3,3-Dimethyl-2-Isopropylbutanoic Acid Methyl Ester
[CAS# 54461-01-7]

Identification

• Name: 3,3-Dimethyl-2-Isopropylbutanoic Acid Methyl Ester
• Synonyms: Methyl 2-Isopropyl-3,3-Dimethyl-Butanoate; 2-Isopropyl-3,3-Dimethylbutanoic Acid Methyl Ester; 2-Isopropyl-3,3-Dimethyl-Butyric Acid Methyl Ester
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.27
• CAS Registry Number: 54461-01-7
• SMILES: CC(C(C(OC)=O)C(C)C)(C)C
• InChI: 1S/C10H20O2/c1-7(2)8(9(11)12-6)10(3,4)5/h7-8H,1-6H3
• InChIKey: UBGWKRYPIYFMRC-UHFFFAOYSA-N

Properties

• Density: 0.87g/cm³ (Cal.)
• Boiling point: 163.723°C at 760 mmHg (Cal.)
• Flash point: 54.218°C (Cal.)