[3-(Methylsulfanyl)Phenyl]Acetic Acid
[CAS# 18698-73-2]

Identification

• Name: [3-(Methylsulfanyl)Phenyl]Acetic Acid
• Synonyms: 3- PHENYLACETICACID; 3-(Methylmercapto)phenylacetic acid, 3-(Methylsulphanyl)phenylacetic acid, 3-(Carboxymethyl)thioanisole; 3-(Methylthio)phenyl acetic acid
• Molecular Formula: C₉H₁₀O₂S
• Molecular Weight: 182.24
• CAS Registry Number: 18698-73-2
• SMILES: CSC1=CC=CC(=C1)CC(=O)O
• InChI: 1S/C9H10O2S/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
• InChIKey: AKYCOAMUNLESIH-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 77-81°C (Expl.)
• Boiling point: 333.7±25.0°C at 760 mmHg (Cal.)
• Flash point: 155.6±23.2°C (Cal.)
• Refractive index: 1.596 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin