(2S)-3,3-Dimethyl-2-{2-[(2-Methyl-2-Propanyl)Oxy]-2-Oxoethyl}Butanoic Acid
[CAS# 210048-06-9]

Identification

• Name: (2S)-3,3-Dimethyl-2-{2-[(2-Methyl-2-Propanyl)Oxy]-2-Oxoethyl}Butanoic Acid
• Synonyms: (S)-4-tert-butoxy-2-tert-butyl-4-oxobutanoic acid
• Molecular Formula: C₁₂H₂₂O₄
• Molecular Weight: 230.30
• CAS Registry Number: 210048-06-9
• SMILES: CC(C)(C)[C@H](CC(=O)OC(C)(C)C)C(=O)O
• InChI: 1S/C12H22O4/c1-11(2,3)8(10(14)15)7-9(13)16-12(4,5)6/h8H,7H2,1-6H3,(H,14,15)/t8-/m1/s1
• InChIKey: XWXLVWPFXFNKHJ-MRVPVSSYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 319.2±25.0°C at 760 mmHg (Cal.)
• Flash point: 111.0±16.7°C (Cal.)
• Refractive index: 1.453 (Cal.)