beta-Hydroxy-A,alpha-Dimethyl-Benzenepropanoic Acid
[CAS# 23985-59-3]

Identification

• Name: beta-Hydroxy-A,alpha-Dimethyl-Benzenepropanoic Acid
• Synonyms: (3S)-3-Hydroxy-2,2-Dimethyl-3-Phenyl-Propanoate; (3S)-3-Hydroxy-2,2-Dimethyl-3-Phenyl-Propionate; Zinc02566323
• Molecular Formula: C₁₁H₁₃O₃
• Molecular Weight: 193.22
• CAS Registry Number: 23985-59-3
• SMILES: [C@@H](O)(C(C)(C)C([O-])=O)C1=CC=CC=C1
• InChI: 1S/C11H14O3/c1-11(2,10(13)14)9(12)8-6-4-3-5-7-8/h3-7,9,12H,1-2H3,(H,13,14)/p-1/t9-/m0/s1
• InChIKey: KTEPFMROLJOJHE-VIFPVBQESA-M

Properties

• Boiling point: 336.36°C at 760 mmHg (Cal.)
• Flash point: 171.429°C (Cal.)