Calcium levulinate

Base Information

• Chemical Name: Calcium levulinate
• CAS No.: 591-64-0
• Deprecated CAS: 1298118-75-8
• Molecular Formula: C10H14CaO6
• Molecular Weight: 270.29
• European Community (EC) Number: 209-725-9
• UNII: LLQ966USIL
• DSSTox Substance ID: DTXSID8060454
• Nikkaji Number: J6.758J
• Wikidata: Q27155578
• NCI Thesaurus Code: C76833
• Mol file: 591-64-0.mol

Synonyms:Levulinicacid, calcium salt (8CI);Pentanoic acid, 4-oxo-, calcium salt (9CI);4-Oxopentanoic acid calcium salt;Calcium Pharmacon;Calcium-Diasporal;Flanthin;Laevucalcin;Levucal;Levulin calcio;Mil-u-cal;

Chemical Property of Calcium levulinate

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 123 °C
• Boiling Point: 242.9 °C at 760 mmHg
• Flash Point: 115 °C
• PSA: 114.40000
• LogP: -1.78900
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 270.0416290
• Heavy Atom Count: 17
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

Calcium levulinate United States Pharmacopeia (USP) Reference Standard, monograph mol wt. 306.32 (C10H14CaO6 . 2H2O) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Metals -> Organic Acids, Metal Salts
• Canonical SMILES: CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2]
• Uses: Calcium Levulinate is a salt of Levulinic Acid (L379500), derived from the degredation of cellulose and is a potential precursor to biofuels. Levulinic acid is also a photosensitizer for photodynamic therapy.