2-Oxo-3-phenylpropanoate

Base Information

• Chemical Name: 2-Oxo-3-phenylpropanoate
• CAS No.: 122049-54-1
• Molecular Formula: C9H8 O3 . H2 O . Na
• Molecular Weight: 204.1551
• Hs Code.: 29183000
• DSSTox Substance ID: DTXSID30924063
• Wikidata: Q27102755
• Mol file: 122049-54-1.mol

Synonyms:3-phenylpyruvate;beta-phenylpyruvic acid;phenylpyruvate;phenylpyruvic acid;phenylpyruvic acid, calcium salt;phenylpyruvic acid, sodium salt

Chemical Property of 2-Oxo-3-phenylpropanoate

Chemical Property:

• Appearance/Colour: WHITE FINE POWDER
• Vapor Pressure: 0.000546mmHg at 25°C
• Melting Point: >300掳C
• Boiling Point: 299.1 °C at 760 mmHg
• Flash Point: 148.9 °C
• PSA: 66.43000
• Density: g/cm³
• LogP: -0.51620
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.039519081
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

99%, ^*data from raw suppliers

Sodium 2-oxo-3-phenylpropanoate hydrate 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)C(=O)[O-]
• Uses: Sodium phenylpyruvate monohydrate is used as an organic chemical synthesis intermediate.