62248

2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid

pharmaceutical impurity standard

• Synonym(s): 1-Hydroxyibuprofen, Ibuprofen impurity L (PhEur), 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid
• Empirical Formula (Hill Notation): C₁₃H₁₈O₃
• CAS Number: 53949-53-4
• Molecular Weight: 222.28
• Beilstein/REAXYS Number: 22307543
• MDL number: MFCD08275586
• UNSPSC Code: 41116107
• PubChem Substance ID: 329759723
• NACRES: NA.24

Properties

• Quality Level: 100
• assay: ≥98.0% (HPLC)
• shelf life: limited shelf life, expiry date on the label
• impurities: ≤0.5% water
• application(s): forensics and toxicology; pharmaceutical (small molecule)
• format: neat
• SMILES string: CC(C)C(O)c1ccc(cc1)C(C)C(O)=O
• InChI: 1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)
• InChI key: RMOQYHYFRKTDRI-UHFFFAOYSA-N

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable