Calcium bis((S)-2-hydroxy-3-methylbutyrate)

Base Information

• Chemical Name: Calcium bis((S)-2-hydroxy-3-methylbutyrate)
• CAS No.: 57618-22-1
• Molecular Formula: C5H10 O3 . 1/2 Ca
• Molecular Weight: 274.32432
• European Community (EC) Number: 260-852-6
• DSSTox Substance ID: DTXSID00206282
• Nikkaji Number: J296.749I
• Mol file: 57618-22-1.mol

Synonyms:57618-22-1;EINECS 260-852-6;Calcium bis((S)-2-hydroxy-3-methylbutyrate);CALCIUM BIS[(S)-2-HYDROXY-3-METHYLBUTYRATE];SCHEMBL839431;C5H10O3.1/2Ca;DTXSID00206282;C5-H10-O3.1/2Ca;Bis[(S)-2-hydroxy-3-methylbutanoic acid]calcium salt

Chemical Property of Calcium bis((S)-2-hydroxy-3-methylbutyrate)

Chemical Property:

• Boiling Point: 237.6°Cat760mmHg
• Flash Point: 111.8°C
• PSA: 120.72000
• Density: 1.136g/cm³
• LogP: -2.49360
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 274.0729291
• Heavy Atom Count: 17
• Complexity: 82.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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