Dibutoxybis(pentane-2,4-dionato-O,O')titanium

Base Information

• Chemical Name: Dibutoxybis(pentane-2,4-dionato-O,O')titanium
• CAS No.: 16902-59-3
• Molecular Formula: C18H32 O6 Ti
• Molecular Weight: 392.31
• DSSTox Substance ID: DTXSID401015448
• Mol file: 16902-59-3.mol

Synonyms:EINECS 240-947-9;Dibutoxybis(pentane-2,4-dionato-O,O')titanium;Titanium, dibutoxybis(2,4-pentanedionato-kappaO,kappaO')-;Titanium, dibutoxybis(2,4-pentanedionato-kappaO2,kappaO4)-;DTXSID401015448;NSC 97180

Chemical Property of Dibutoxybis(pentane-2,4-dionato-O,O')titanium

Chemical Property:

• Vapor Pressure: 0.174mmHg at 25°C
• Boiling Point: 138.4°Cat760mmHg
• Flash Point: 43.1°C
• PSA: 71.06000
• Density: g/cm³
• LogP: 4.45500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 392.1678294
• Heavy Atom Count: 25
• Complexity: 104

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[O-].CCCC[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ti+4]
• Isomeric SMILES: CCCC[O-].CCCC[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ti+4]