(1S)-1-Phenyl-1,3-Propanediol
[CAS# 96854-34-1]

Identification

• Name: (1S)-1-Phenyl-1,3-Propanediol
• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.19
• CAS Registry Number: 96854-34-1
• SMILES: [C@@H](O)(C1=CC=CC=C1)CCO
• InChI: 1S/C9H12O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m0/s1
• InChIKey: RRVFYOSEKOTFOG-VIFPVBQESA-N

Properties

• Density: 1.131g/cm³ (Cal.)
• Boiling point: 310.611°C at 760 mmHg (Cal.)
• Flash point: 153.842°C (Cal.)

References

• (1): Christine Le Sann, Dulce M. Muñoz, Natalie Saunders, Thomas J. Simpson, David I. Smith, Florilène Soulas, Paul Watts and Christine L. Willis. Assembly intermediates in polyketide biosynthesis: enantioselective syntheses of ß-hydroxycarbonyl compounds, Org. Biomol. Chem., 2005, 3, 1719.