4-[(2S)-1-Oxo-1-Propoxy-2-Propanyl]Benzoic Acid
[CAS# 161262-16-4]

Identification

• Name: 4-[(2S)-1-Oxo-1-Propoxy-2-Propanyl]Benzoic Acid
• Synonyms: (S)-4-(1-oxo-1-propoxypropan-2-yl)benzoic acid
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.26
• CAS Registry Number: 161262-16-4
• SMILES: CCCOC(=O)[C@@H](C)C1=CC=C(C=C1)C(=O)O
• InChI: 1S/C13H16O4/c1-3-8-17-13(16)9(2)10-4-6-11(7-5-10)12(14)15/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m0/s1
• InChIKey: DWHHOJZYYGLSOK-VIFPVBQESA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 358.0±25.0°C at 760 mmHg (Cal.)
• Flash point: 131.8±16.7°C (Cal.)
• Refractive index: 1.527 (Cal.)