Calcium mandelate

Base Information

• Chemical Name: Calcium mandelate
• CAS No.: 134-95-2
• Molecular Formula: C8H8 O3 . 1/2 Ca
• Molecular Weight: 342.36
• European Community (EC) Number: 205-165-4
• UNII: 29CS07FZII
• DSSTox Substance ID: DTXSID30928384
• Nikkaji Number: J27.596D
• Wikidata: Q27254417
• NCI Thesaurus Code: C77069
• ChEMBL ID: CHEMBL2104215
• Mol file: 134-95-2.mol

Synonyms:CALCIUM MANDELATE;Calcium dimandelate;134-95-2;Mandelate calcium;Calcium mandelate [USP];Mandelic acid calcium salt;UNII-29CS07FZII;29CS07FZII;EINECS 205-165-4;calcium bis[hydroxy(phenyl)acetate];Dimandelic acid calcium;Calcium Mandelate [USAN];SCHEMBL1680816;C8H8O3.1/2Ca;CHEMBL2104215;DTXSID30928384;C8-H8-O3.1/2Ca;MANDELATE CALCIUM [WHO-DD];MANDELIC ACID CALCIUM SALT [MI];Q27254417;Calcium;2-hydroxy-2-phenylacetate;(2S)-2-hydroxy-2-phenylacetate

Chemical Property of Calcium mandelate

Chemical Property:

• Vapor Pressure: 0.00012mmHg at 25°C
• Boiling Point: 321.8°Cat760mmHg
• Flash Point: 162.6°C
• PSA: 93.06000
• Density: g/cm³
• LogP: 1.45500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 342.0416290
• Heavy Atom Count: 23
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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