Calcium 2-Hydroxy-2-Phenylacetate
[CAS# 134-95-2]

Identification

• Name: Calcium 2-Hydroxy-2-Phenylacetate
• Synonyms: Calcium 2-Hydroxy-2-Phenyl-Acetate; Calcium 2-Hydroxy-2-Phenyl-Ethanoate; Mandelic Acid Calcium Salt
• Molecular Formula: C₁₆H₁₄CaO₆
• Molecular Weight: 342.36
• CAS Registry Number: 134-95-2
• EINECS: 205-165-4
• SMILES: C1=CC=CC=C1C(C([O-])=O)O.C2=CC=CC=C2C(C([O-])=O)O.[Ca++]
• InChI: 1S/2C8H8O3.Ca/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5,7,9H,(H,10,11);/q;;+2/p-2
• InChIKey: GCXSYHGQGJCRRW-UHFFFAOYSA-L

Properties

• Boiling point: 321.8°C at 760 mmHg (Cal.)
• Flash point: 162.6°C (Cal.)