3,5,5-Trimethylhexanoic Acid, Iron Salt
[CAS# 68213-78-5]

Identification

• Name: 3,5,5-Trimethylhexanoic Acid, Iron Salt
• Synonyms: Ferrous 3,5,5-Trimethylhexanoate; Hexanoic Acid, 3,5,5-Trimethyl-, Iron Salt; 3,5,5-Trimethylhexanoic Acid, Iron Salt
• Molecular Formula: C₁₈H₃₄FeO₄
• Molecular Weight: 370.31
• CAS Registry Number: 68213-78-5
• EINECS: 269-263-9
• SMILES: C(C(C)(C)C)C(CC([O-])=O)C.C(C(C)(C)C)C(CC([O-])=O)C.[Fe++]
• InChI: 1S/2C9H18O2.Fe/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2
• InChIKey: SKOOLUFPOXGGRL-UHFFFAOYSA-L

Properties

• Boiling point: 243.3°C at 760 mmHg (Cal.)
• Flash point: 109.4°C (Cal.)