Calcium(2+) 5-Hexadecylsalicylate
[CAS# 68540-40-9]

Identification

• Name: Calcium(2+) 5-Hexadecylsalicylate
• Synonyms: Calcium 5-Hexadecyl-2-Hydroxy-Benzoate; Calcium 5-Cetyl-2-Hydroxy-Benzoate; Calcium(2+) 5-Hexadecylsalicylate
• Molecular Formula: C₄₆H₇₄CaO₆
• Molecular Weight: 763.17
• CAS Registry Number: 68540-40-9
• EINECS: 271-300-9
• SMILES: C1=C(C=CC(=C1C([O-])=O)O)CCCCCCCCCCCCCCCC.C(C2=CC(=C(O)C=C2)C([O-])=O)CCCCCCCCCCCCCCC.[Ca++]
• InChI: 1S/2C23H38O3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22(24)21(19-20)23(25)26;/h2*17-19,24H,2-16H2,1H3,(H,25,26);/q;;+2/p-2
• InChIKey: SBVUPGIGCNUENE-UHFFFAOYSA-L

Properties

• Boiling point: 496°C at 760 mmHg (Cal.)
• Flash point: 267.9°C (Cal.)