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17927-72-9

Basic Information
CAS No.: 17927-72-9
Name: Titanium diisopropoxide bis(acetylacetonate)
Molecular Structure:
Molecular Structure of 17927-72-9 (Titanium diisopropoxide bis(acetylacetonate))
Formula: C16H28O6Ti
Molecular Weight: 364.27
Synonyms: Titanium,bis(2,4-pentanedionato-O,O')bis(2-propanolato)-;Titanium, diisopropoxybis(2,4-pentanedionato)- (7CI,8CI);Bis(acetylacetonate)-titanium-di-isopropylate;Bis(acetylacetonato)bis(isopropanolato)titanium;Bis(acetylacetonato)diisopropanolatotitanium;Bis(isopropoxy)titaniumbis(acetylacetonate);Di(isopropoxo)bis(pentane-2,4-dionato)titanium;Diisopropoxybis(acetylacetonato)titanium;Orgatix TC 100;T 80 (titanate);Titabond 50;Titaniumbis(2,4-pentanedionate) diisopropoxide;Titaniumbis(acetoacetonate)diisopropylate;Titanium bis(isopropoxy) bis(acetoacetonate);Tyzor AA;Tyzor AA 75;Vertec KE 2;Vertec TAA;
EINECS: 241-866-1
Density: 1.00 g/mL at 20 °C
Boiling Point: 85°C
Flash Point: 54 °F
Solubility: Hydrolyze with water.
Appearance: clear yellow to orange liquid
Hazard Symbols: FlammableF, IrritantXi, ToxicT
Risk Codes: 11-36/37/38-67-20/21
Safety: 16-26-36/37/39-45-24/25
Transport Information: UN 1987 3/PG 2
PSA: 71.06000
LogP: 3.67160
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Specification

The IUPAC name of Titanium diisopropoxide bis(acetylacetonate) is (Z)-4-oxopent-2-en-2-olate; propan-2-olate; titanium(4+). With the CAS registry number 17927-72-9, it is also named as Bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium. The product's categories are Pharmaceutical Intermediates; Organometallics, and the other registry numbers are 101707-32-8; 116411-86-0; 12768-60-4; 51944-90-2. Besides, it is clear yellow to orange liquid, which should be stored in dry inert gas in closed, dark and ventilated place at room temperature. Furthermore, this chemical dissolves in organic solvents such as isopropanol, benzene and toluene easily. Under low temperature, it may give crystal. In addition, its molecular formula is C16H28O6Ti and molecular weight is 364.27.

The other characteristics of this product can be summarized as: (1)EINECS: 241-866-1; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 6; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 15; (6)Exact Mass: 364.136536; (7)MonoIsotopic Mass: 364.136536; (8)Topological Polar Surface Area: 126; (9)Heavy Atom Count: 23; (10)Complexity: 101; (11)Density: 1.00 g/mL at 20 °C; (12)Flash Point: 54 °F; (13)Boiling Point: 85 °C.

Uses of Titanium diisopropoxide bis(acetylacetonate): this chemical can react with active sites of polymer chains of inks / coatings to form bridging which can help to improve heat resistance, chemical resistance and hydrolytic resistance of the dry film. And the bridging also can help the adhesion between inks / paints dry film on substrate surface.

When you are using this chemical, please be cautious about it as the following: Titanium diisopropoxide bis(acetylacetonate) is highly flammable and harmful by inhalation and in contact with skin. Please keep away from sources of ignition. It is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes. Moreover, its vapours may cause drowsiness and dizziness. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(C)O[Ti+2]OC(C)C.[O-]\C(C)=C/C(C)=O.[O-]\C(C)=C/C(C)=O
(2)InChI:InChI=1/2C5H8O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3,6H,1-2H3;2*3H,1-2H3;/q;;2*-1;+4/p-2/b2*4-3-;;;/rC6H14O2Ti.2C5H8O2/c1-5(2)7-9-8-6(3)4;2*1-4(6)3-5(2)7/h5-6H,1-4H3;2*3,6H,1-2H3/q+2;;/p-2/b;2*4-3-
(3)InChIKey:OVSGBKZKXUMMHS-UIBQZPAMBM