2-Benzyl-3-Mercaptopropanoic Acid
[CAS# 69734-01-6]

Identification

• Name: 2-Benzyl-3-Mercaptopropanoic Acid
• Synonyms: 2-(Phenylmethyl)-3-Sulfanyl-Propanoic Acid; 2-(Mercaptomethyl)-3-Phenylpropanoic Acid; 2-(Benzyl)-3-Mercapto-Propionic Acid
• Molecular Formula: C₁₀H₁₂O₂S
• Molecular Weight: 196.26
• CAS Registry Number: 69734-01-6
• SMILES: C1=C(CC(CS)C(O)=O)C=CC=C1
• InChI: 1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
• InChIKey: ZUEBVBPVXLQMQR-UHFFFAOYSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 329.347°C at 760 mmHg (Cal.)
• Flash point: 152.984°C (Cal.)