B12687

5-Oxo-5-phenylvaleric acid

96%

• Synonym(s): 4-Benzoylbutyric acid
• Linear Formula: C₆H₅CO(CH₂)₃CO₂H
• CAS Number: 1501-05-9
• Molecular Weight: 192.21
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24891576
• EC Number: 216-113-5
• Beilstein/REAXYS Number: 641947
• MDL number: MFCD00004411
• Assay: 96%
• Form: powder

Properties

• Quality Segment: 100
• assay: 96%
• form: powder
• mp: 126-129 °C (lit.)
• functional group: ketone, phenyl
• SMILES string: OC(=O)CCCC(=O)c1ccccc1
• InChI: 1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
• InChI key: SHKWSBAVRQZYLE-UHFFFAOYSA-N

Description

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: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves