90025

α,4-Dimethylphenylacetic acid

pharmaceutical impurity standard

• Synonym(s): (2RS)-2-(4-Methylphenyl)propionic acid, Ibuprofen impurity D (PhEur), 2-(4-Methylphenyl)propanoic acid, p-Methylhydratropic acid
• Linear Formula: CH₃C₆H₄CH(CH₃)CO₂H
• CAS Number: 938-94-3
• Molecular Weight: 164.20
• Beilstein/REAXYS Number: 2251315
• MDL number: MFCD01111378
• UNSPSC Code: 12352200
• PubChem Substance ID: 329769793

Properties

• Quality Level: 100
• API family: ibuprofen
• assay: ≥98.0% (HPLC)
• shelf life: limited shelf life, expiry date on the label
• impurities: ≤0.5% water
• mp: 37-42 °C (lit.)
• application(s): pharmaceutical (small molecule)
• format: neat
• SMILES string: CC(C(O)=O)c1ccc(C)cc1
• InChI: 1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
• Inchi Key: KDYOFXPLHVSIHS-UHFFFAOYSA-N

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup