Calcium(2+) 12-Hydroxyoctadecanoate
[CAS# 3159-62-4]

Identification

• Name: Calcium(2+) 12-Hydroxyoctadecanoate
• Synonyms: Calcium 12-Hydroxystearate; Octadecanoic Acid, 12-Hydroxy-, Calcium Salt (2:1)
• Molecular Formula: C₃₆H₇₀CaO₆
• Molecular Weight: 639.03
• CAS Registry Number: 3159-62-4
• EINECS: 221-605-8
• SMILES: C(C([O-])=O)CCCCCCCCCC(CCCCCC)O.C(C([O-])=O)CCCCCCCCCC(CCCCCC)O.[Ca++]
• InChI: 1S/2C18H36O3.Ca/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2
• InChIKey: RXPKHKBYUIHIGL-UHFFFAOYSA-L

Properties

• Boiling point: 436.3°C at 760 mmHg (Cal.)
• Flash point: 231.8°C (Cal.)