Calcium 2-oxo-3-phenylpropanoate

Base Information

• Chemical Name: Calcium 2-oxo-3-phenylpropanoate
• CAS No.: 51828-93-4
• Molecular Formula: C18H14CaO6
• Molecular Weight: 366.38
• Hs Code.: 2918300090
• European Community (EC) Number: 257-455-5
• UNII: 7V9Q5UU79A
• DSSTox Substance ID: DTXSID00199786
• Nikkaji Number: J256.589G
• Wikidata: Q27268903
• Mol file: 51828-93-4.mol

Synonyms:calcium 2-oxo-3-phenylpropanoate;51828-93-4;Phenylpyruvic acid calcium salt;calcium;2-oxo-3-phenylpropanoate;Calcium bis(3-phenylpyruvate);Calcium 2-oxo-3-phenylpropionate;UNII-7V9Q5UU79A;C18H14CaO6;7V9Q5UU79A;EINECS 257-455-5;SCHEMBL3408857;C9H8O3.1/2Ca;Calcium2-oxo-3-phenylpropanoate;C18-H14-Ca-O6;DTXSID00199786;C9-H8-O3.1/2Ca;ALPHA-KETOPHENYLALANINE CALCIUM;AKOS015905788;AKOS015965095;calcium bis(2-oxo-3-phenylpropanoate);SB67350;.ALPHA.-KETOPHENYLALANINE CALCIUM;PHENYLPYRORACEMIC ACID CALCIUM SALT;FT-0640030;A828802;CALCIUM 2-OXO-3-PHENYLPROPIONATE [WHO-DD];Q27268903;BENZENEPROPANOIC ACID, .ALPHA.-OXO-, CALCIUM SALT;BENZENEPROPANOIC ACID, .ALPHA.-OXO-, CALCIUM SALT (2:1)

Chemical Property of Calcium 2-oxo-3-phenylpropanoate

Chemical Property:

• Appearance/Colour: White or off-white crystalline powder
• Boiling Point: 299.1 ºC at 760 mmHg
• Flash Point: 148.9 ºC
• PSA: 86.74000
• Density: 1.257 g/cm³
• LogP: 1.61140
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 366.0416290
• Heavy Atom Count: 25
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

CalciumPhenylpyruvate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2]