Prephenyllactate
[CAS# 117580-15-1]

Identification

• Name: Prephenyllactate
• Synonyms: 1-(2,3-Dihydroxy-3-Oxo-Propyl)-4-Hydroxy-Cyclohexa-2,5-Diene-1-Carboxylic Acid; 1-(2,3-Dihydroxy-3-Oxopropyl)-4-Hydroxy-1-Cyclohexa-2,5-Dienecarboxylic Acid; 1-(2,3-Dihydroxy-3-Keto-Propyl)-4-Hydroxy-Cyclohexa-2,5-Diene-1-Carboxylic Acid
• Molecular Formula: C₁₀H₁₂O₆
• Molecular Weight: 228.20
• CAS Registry Number: 117580-15-1
• SMILES: C(C1(C(=O)O)C=CC(O)C=C1)C(O)C(=O)O
• InChI: 1S/C10H12O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6-7,11-12H,5H2,(H,13,14)(H,15,16)
• InChIKey: NJHQXJPGTQOYFN-UHFFFAOYSA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 546.067°C at 760 mmHg (Cal.)
• Flash point: 298.115°C (Cal.)