(2S)-2-[4-(2-Methyl-2-Propanyl)Phenyl]Propanoic Acid
[CAS# 172824-87-2]

Identification

• Name: (2S)-2-[4-(2-Methyl-2-Propanyl)Phenyl]Propanoic Acid
• Synonyms: (S)-2-(4-(tert-butyl)phenyl)propanoic acid
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• CAS Registry Number: 172824-87-2
• SMILES: O=C(O)[C@H](c1ccc(cc1)C(C)(C)C)C
• InChI: 1S/C13H18O2/c1-9(12(14)15)10-5-7-11(8-6-10)13(2,3)4/h5-9H,1-4H3,(H,14,15)/t9-/m0/s1
• InChIKey: YEUZPPMNBARTOY-VIFPVBQESA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 311.662°C at 760 mmHg (Cal.)
• Flash point: 208.748°C (Cal.)
• Refractive index: 1.513 (Cal.)