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| CAS No.: | 27858-32-8 |
|---|---|
| Name: | Titanium, bis[ethyl3-(oxo-kO)butanoato-kO']bis(2-propanolato)- |
| Article Data: | 1 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C18H32O8Ti |
| Molecular Weight: | 424.327 |
| Synonyms: | Titanium,bis(ethyl 3-oxobutanoato-O1',O3)bis(2-propanolato)-;Titanium, bis(hydrogenacetoacetato)diisopropoxy-, diethyl ester (7CI,8CI);AKT 865;Di(isopropoxy)bis(ethylacetoacetato)titanium;Diisopropoxy bis(ethylacetoacetate)titanate;Diisopropoxytitanium bi(ethyl acetoacetate);Diisopropoxytitanium bis(ethylacetylacetate);Diisopropoxytitanium bis(ethylacetoacetate);Orgatix TC 750;T 60 (titanate);TC 750;Tilcom KE 2;Titanium bis(ethyl acetoacetate)diisopropoxide;Titaniumbis(isopropoxy) bis(ethyl acetoacetate);Titanium diisopropoxide bis(ethylacetoacetate);Tyzor DC; |
| EINECS: | 248-697-2 |
| Density: | 1.109 g/mL at 25 °C(lit.) |
| Melting Point: | N/A |
| Boiling Point: | 220 °C |
| Flash Point: | 87 °F |
| Solubility: | N/A |
| Appearance: | light reddish transparent liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 89.52000 |
| LogP: | 3.61980 |
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The IUPAC name of Diisopropoxy-bisethylacetoacetatotitanate is (E)-1-ethoxy-3-oxobut-1-en-1-olate; propan-2-olate; titanium(4+). With the CAS registry number 27858-32-8, it is also named as Bis(ethyl acetoacetato-O1',O3)bis(propan-2-olato)titanium. The product's category is Organometallics, and the other registry numbers are 16940-29-7 and 188497-56-5. Besides, it is light reddish transparent liquid, which should be stored in closed container in a cool and dry place. And when it is stored in low temperature, it may give crystal. In addition, this chemical can dissolve in isopropanol, butanol, ethyl acetate, isopropyl acetate, toluene and benzene.
The other characteristics of this product can be summarized as: (1)EINECS: 248-697-2; (2)ACD/LogP: 0.24; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.24; (5)ACD/LogD (pH 7.4): 0.22; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 32.13; (9)ACD/KOC (pH 7.4): 31.01; (10)H bond acceptors: 3; (11)H bond donors: 1; (12)Freely Rotating Bonds: 4; (13)Index of Refraction: 1.518; (14)Topological Polar Surface Area: 145; (15)Flash Point: 91.7 °C; (16)Density: 1.109 g/mL at 25 °C; (17)Enthalpy of Vaporization: 53.71 kJ/mol; (18)Boiling Point: 225.4 °C at 760 mmHg; (19)Vapour Pressure: 0.0173 mmHg at 25 °C.
Uses of Diisopropoxy-bisethylacetoacetatotitanate: this chemical can form bridging between polymer chains and polymer chains / binders that gives the dry film better heat resistance, chemical resistance and hydrolystic resistance. It also can be used as water scavenger in oil based coatings and printing ink. Besides, Isopropanol solution of this product (0.1% to 5%) can be used as primer to improve adhesion on top coating.
When you are using this chemical, please be cautious about it as the following: Diisopropoxy-bisethylacetoacetatotitanate is flammable. Please keep away from sources of ignition. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:[Ti+4].[O-]/C(OCC)=C\C(=O)C.[O-]C(C)C.[O-]C(C)C.[O-]/C(OCC)=C\C(=O)C
(2)InChI:InChI=1/2C6H10O3.2C3H7O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-3(2)4;/h2*4,8H,3H2,1-2H3;2*3H,1-2H3;/q;;2*-1;+4/p-2/b2*6-4+
(3)InChIKey:XEMMRWPCJFCMMM-OVMDUUHZBX
