4-[(2S)-1-Acetoxy-2-Propanyl]Benzoic Acid
[CAS# 145621-78-9]

Identification

• Name: 4-[(2S)-1-Acetoxy-2-Propanyl]Benzoic Acid
• Synonyms: (S)-4-(1-acetoxypropan-2-yl)benzoic acid
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• CAS Registry Number: 145621-78-9
• SMILES: O=C(O)c1ccc(cc1)[C@@H](COC(=O)C)C
• InChI: 1S/C12H14O4/c1-8(7-16-9(2)13)10-3-5-11(6-4-10)12(14)15/h3-6,8H,7H2,1-2H3,(H,14,15)/t8-/m1/s1
• InChIKey: YPILWADPKHBUMO-MRVPVSSYSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 352.746°C at 760 mmHg (Cal.)
• Flash point: 133.232°C (Cal.)
• Refractive index: 1.532 (Cal.)