B13802

3-Benzoylpropionic acid

99%

• Synonym(s): 4-Oxo-4-phenylbutyric acid
• Linear Formula: C₆H₅COCH₂CH₂COOH
• CAS Number: 2051-95-8
• Molecular Weight: 178.18
• Beilstein/REAXYS Number: 639757
• EC Number: 218-135-0
• MDL number: MFCD00002792
• UNSPSC Code: 12352100
• PubChem Substance ID: 24891586
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• form: crystals
• mp: 114-117 °C (lit.)
• SMILES string: OC(=O)CCC(=O)c1ccccc1
• InChI: 1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
• InChI key: KMQLIDDEQAJAGJ-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: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves