4-[(2S)-1-Butoxy-1-Oxo-2-Propanyl]Benzoic Acid
[CAS# 161262-15-3]

Identification

• Name: 4-[(2S)-1-Butoxy-1-Oxo-2-Propanyl]Benzoic Acid
• Synonyms: (S)-4-(1-butoxy-1-oxopropan-2-yl)benzoic acid
• Molecular Formula: C₁₄H₁₈O₄
• Molecular Weight: 250.29
• CAS Registry Number: 161262-15-3
• SMILES: CCCCOC(=O)[C@@H](C)C1=CC=C(C=C1)C(=O)O
• InChI: 1S/C14H18O4/c1-3-4-9-18-14(17)10(2)11-5-7-12(8-6-11)13(15)16/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)/t10-/m0/s1
• InChIKey: PEZTXSBXSQXIKZ-JTQLQIEISA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 371.7±25.0°C at 760 mmHg (Cal.)
• Flash point: 134.4±16.7°C (Cal.)
• Refractive index: 1.523 (Cal.)