2-Hydroxy-4-Phenylbutanoic Acid
[CAS# 111611-91-7]

Identification

• Name: 2-Hydroxy-4-Phenylbutanoic Acid
• Synonyms: (2R)-2-hydroxy-4-phenylbutanoic acid; (R)-2-Hydroxy-4-phenylbutyric acid; (S)-2-Hydroxy-4-phenylbutyric acid
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.20
• CAS Registry Number: 111611-91-7
• SMILES: O=C(O)C(O)CCc1ccccc1
• InChI: 1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
• InChIKey: JNJCEALGCZSIGB-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 356.938°C at 760 mmHg (Cal.)
• Flash point: 183.86°C (Cal.)
• Refractive index: 1.564 (Cal.)

References

• (1): Bing Chen, Hai-Feng Yin, Zhen-Sheng Wang, Jia-Ying Liu and Jian-He Xu. A new chemo-enzymatic route to chiral 2-hydroxy-4-phenylbutyrates by combining lactonase-mediated resolution with hydrogenation over Pd/C, Chem. Commun., 2010, 46, 2754.