Calcium octanoate

Base Information

• Chemical Name: Calcium octanoate
• CAS No.: 2191-10-8
• Deprecated CAS: 55852-90-9
• Molecular Formula: C8H16 O2 . 1/2 Cd
• Molecular Weight: 398.86
• European Community (EC) Number: 218-585-8,228-067-3
• UNII: 606VZD154T
• DSSTox Substance ID: DTXSID7052280
• Nikkaji Number: J43.238E
• Wikidata: Q27263181
• Mol file: 2191-10-8.mol

Synonyms:CALCIUM OCTANOATE;Octanoic acid, calcium salt;calcium caprylate;6107-56-8;Cadmium octoate;Cadmium caprylate;Cadmium di(octanoate);Calcium di(octanoate);Octanoic acid, cadmium salt;UNII-606VZD154T;606VZD154T;EINECS 218-585-8;EINECS 228-067-3;Octanoic acid, calcium salt (2:1);Cadmium octanoate;OCTANOIC ACID, CADMIUM SALT (2:1);calcium;octanoate;CALCIUM N-OCTANOATE;caprylic acid, cadmium salt;SCHEMBL371510;2C8H15O2.Cd;DTXSID7052280;CAPRYLIC ACID CALCIUM SALT;CALCIUM CAPRYLATE [WHO-DD];N-OCTANOIC ACID, CALCIUM SALT;LS-97954;Q27263181

Chemical Property of Calcium octanoate

Chemical Property:

• Boiling Point: 239.3°Cat760mmHg
• Flash Point: 107.4°C
• PSA: 80.26000
• Density: g/cm³
• LogP: 2.19110
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 326.1770003
• Heavy Atom Count: 21
• Complexity: 83.7

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ca+2]