Calcium bis(4-hydroxybutyrate)

Base Information

• Chemical Name: Calcium bis(4-hydroxybutyrate)
• CAS No.: 82316-97-0
• Molecular Formula: C4H8 O3 . 1/2 Ca
• Molecular Weight: 246.27116
• European Community (EC) Number: 279-930-6
• UNII: 8W24SYD6ZI
• DSSTox Substance ID: DTXSID201002609
• Nikkaji Number: J320.385I
• Wikidata: Q36431725
• RXCUI: 2387307
• ChEMBL ID: CHEMBL4594393
• Mol file: 82316-97-0.mol

Synonyms:Calcium oxybate;Oxybate Calcium;Calcium bis(4-hydroxybutyrate);82316-97-0;EINECS 279-930-6;8W24SYD6ZI;UNII-8W24SYD6ZI;Calcium bis(4-hydroxybutanoate);SCHEMBL408933;C4H8O3.1/2Ca;CHEMBL4594393;OXYBATE CALCIUM [WHO-DD];C4-H8-O3.1/2Ca;DTXSID201002609;CALCIUM OXYBATE [ORANGE BOOK];AKOS030242843;XYWAV COMPONENT CALCIUM OXYBATE;Bis(4-hydroxybutanoic acid)calcium salt;CALCIUM OXYBATE COMPONENT OF XYWAV;LS-46313;Q36431725;BUTANOIC ACID, 4-HYDROXY-, CALCIUM SALT (2:1)

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Chemical Property of Calcium bis(4-hydroxybutyrate)

Chemical Property:

• Vapor Pressure: 0.000156mmHg at 25°C
• Melting Point: 168-170°C
• Boiling Point: 295.6°C at 760 mmHg
• Flash Point: 146.8°C
• PSA: 120.72000
• LogP: -2.98240
• Storage Temp.: Controlled Substance, -20°C Freezer
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 246.0416290
• Heavy Atom Count: 15
• Complexity: 54.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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