Titanium(+4) Cation 7,7-Dimethyloctanoate
[CAS# 39049-05-3]

Identification

• Name: Titanium(+4) Cation 7,7-Dimethyloctanoate
• Synonyms: 7,7-Dimethylcaprylate; Titanium(+4) Cation; Neodecanoic Acid, Titanium Salt
• Molecular Formula: C₄₀H₇₆O₈Ti
• Molecular Weight: 732.94
• CAS Registry Number: 39049-05-3
• EINECS: 254-260-7
• SMILES: C(C(C)(C)C)CCCCC([O-])=O.C(C(C)(C)C)CCCCC([O-])=O.C(C(C)(C)C)CCCCC([O-])=O.[O-]C(=O)CCCCCC(C)(C)C.[Ti+4]
• InChI: 1S/4C10H20O2.Ti/c4*1-10(2,3)8-6-4-5-7-9(11)12;/h4*4-8H2,1-3H3,(H,11,12);/q;;;;+4/p-4
• InChIKey: DQKVMDNCLZIACU-UHFFFAOYSA-J

Properties

• Boiling point: 265.6°C at 760 mmHg (Cal.)
• Flash point: 121.3°C (Cal.)