Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)

Base Information

• Chemical Name: Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)
• CAS No.: 3159-62-4
• Deprecated CAS: 2087-08-3
• Molecular Formula: C18H36 O3 . 1/2 Ca
• Molecular Weight: 639.0154
• European Community (EC) Number: 221-605-8
• UNII: V1I7239M6R
• DSSTox Substance ID: DTXSID9027524
• Nikkaji Number: J217.317D
• Wikidata: Q27291412
• Mol file: 3159-62-4.mol

Synonyms:Octadecanoic acid, 12-hydroxy-, calcium salt (2:1);3159-62-4;Calcium(2+) 12-hydroxyoctadecanoate;Calcium bis(12-hydroxystearate);calcium 12-hydroxystearate;calcium;12-hydroxyoctadecanoate;V1I7239M6R;70942-14-2;calcium 12-hydroxyoctadecanoate;calcium bis(12-hydroxyoctadecanoate);EINECS 221-605-8;UNII-V1I7239M6R;CCRIS 8268;12-Hydroxystearic acid calcium salt;calcium hydroxystearate;EC 221-605-8;calcium di-12-hydroxystearate;SCHEMBL195538;DTXSID9027524;Q27291412;12-HYDROXYOCTADECANOIC ACID CALCIUM SALT (2:1)

Chemical Property of Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)

Chemical Property:

• Boiling Point: 436.3°Cat760mmHg
• Flash Point: 231.8°C
• PSA: 120.72000
• Density: g/cm³
• LogP: 7.93720
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 30
• Exact Mass: 638.4798308
• Heavy Atom Count: 43
• Complexity: 223

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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