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

Base Information

• Chemical Name: Tetrakis(pentane-2,4-dionato-O,O')titanium
• CAS No.: 17501-79-0
• Deprecated CAS: 89823-44-9
• Molecular Formula: C20H28 O8 Ti
• Molecular Weight: 444.3
• European Community (EC) Number: 241-511-0
• UNII: Q1276Q51Z1
• DSSTox Substance ID: DTXSID701014794
• Mol file: 17501-79-0.mol

Synonyms:Tetrakis(pentane-2,4-dionato-O,O')titanium;17501-79-0;Tetrakis(2,4-pentanedionato)titanium;Titanium tetraacetylacetonate;Titanium(IV) Acetylacetonate;Titanium, tetrakis(2,4-pentanedionato)-;(Z)-4-oxopent-2-en-2-olate;titanium(4+);UNII-Q1276Q51Z1;Titanium, tetrakis(2,4-pentanedionato-O,O')-;EINECS 241-511-0;Q1276Q51Z1;Titanium, tetrakis(2,4-pentanedionato-kappaO,kappaO')-;Titanium, tetrakis(2,4-pentanedionato-.kappa.O,.kappa.O')-;C20H28O8Ti;C20-H28-O8-Ti;Acetylacetone Titanium(IV) Salt;DTXSID701014794;T2610;TETRAKIS(2,4-PENTANEDIONATO)TITANIUM (IV)

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

Chemical Property:

• Appearance/Colour: Light red, clear liquid
• Boiling Point: 187.6oC at 760mmHg
• Flash Point: 71.9°C
• PSA: 105.20000
• LogP: 3.84040
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 444.1263585
• Heavy Atom Count: 29
• Complexity: 90.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in Isopropyl Alcohol) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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