Calcium bis(6-methylheptanoate)
[CAS# 85896-50-0]

Identification

• Name: Calcium bis(6-methylheptanoate)
• Synonyms: Calcium(II) isooctanoate; Isooctanoic acid, calcium salt
• Molecular Formula: C₁₆H₃₀CaO₄
• Molecular Weight: 326.48
• CAS Registry Number: 85896-50-0
• SMILES: [Ca+2].[O-]C(=O)CCCCC(C)C.[O-]C(=O)CCCCC(C)C
• InChI: 1S/2C8H16O2.Ca/c2*1-7(2)5-3-4-6-8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
• InChIKey: OXQUUWINCOYVJL-UHFFFAOYSA-L

Properties

• Boiling point: 234.6°C at 760 mmHg (Cal.)
• Flash point: 116.6°C (Cal.)