Calcium phytate

Base Information

• Chemical Name: Calcium phytate
• CAS No.: 3615-82-5
• Deprecated CAS: 16059-99-7
• Molecular Formula: C6H18O24P6.xCa.xMg
• Molecular Weight: 888.40800
• Hs Code.: 2906.13
• European Community (EC) Number: 222-798-1
• DSSTox Substance ID: DTXSID30891206
• Wikidata: Q3746173
• Mol file: 3615-82-5.mol

Synonyms:Inositol,hexakis(dihydrogen phosphate) calcium magnesium salt, myo- (8CI);Phytin (7CI);myo-Inositol, hexakis(dihydrogen phosphate), calcium magnesium salt (9CI);Ca-Mg phytate;Calcium-magnesium phytate;Eviunis;Forglesan;Fosforo DeAngeli;Inophosphan;Inositocalcium;Phytocalcium;Phytophosphine;

Chemical Property of Calcium phytate

Chemical Property:

• Appearance/Colour: White powder
• Boiling Point: 1190.7oC at 760mmHg
• Flash Point: 673.9oC
• PSA: 493.38000
• Density: 2.42g/cm3
• LogP: 2.12580
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 6
• Exact Mass: 711.7151056
• Heavy Atom Count: 38
• Complexity: 749

Purity/Quality:

98%, ^*data from raw suppliers

Calcium Magnesium Phytate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Mg+2].[Ca+2]
• Uses: A calcium salt form of phytic acid (P398700), the principal storage form of phosphorus in many plant tissues, especially bran and seeds. It has antioxidant effect as well as neuroprotective effect by chelating iron.