Titanium tetraisopropanolate supplier

Name
Titanium tetraisopropanolate
EINECS 208-909-6
CAS No. 546-68-9
Article Data37
CAS DataBase
Density 0.96 g/mL at 20 °C
Solubility hydrolysis in water
Melting Point 14-17 °C(lit.)
Formula C₁₂H₂₈O₄Ti
Boiling Point 232 °C(lit.)
Molecular Weight 284.232
Flash Point 72 °F
Transport Information UN 2413 3/PG 3
Appearance colourless to light yellow liquid
Safety 16-26-36/37/39-7/9
Risk Codes 10-36-36/37/38-11
Molecular Structure
Hazard Symbols F, Xi
Synonyms 2-Propanol,titanium(4+) salt (9CI);Isopropyl alcohol, titanium(4+) salt (8CI);Titaniumisopropoxide (Ti(OC3H7)4) (7CI);5N (titanate);A 1 (titanate);AKT872;Isopropyl orthotitanate;Isopropyl titanate(IV)((C3H7O)4Ti);NDH 510C;Orgatix TA 10;TA 10;TIPT;TPTA 1;Tetraisopropanolatotitanium;Tetraisopropoxytitanium;Tetraisopropoxytitanium(IV);Tetraisopropyl orthotitanate;Tetrakis(isopropanolato)titanium;Tetrakis(isopropylato)titanium(IV);Tetrakis(isopropyloxy)titanium;Titanium isopropoxide;Titanium tetraisopropoxide;Titanium tetrakis(iso-propoxide);Titanium(4+) isopropoxide;Titanium, tetrakis(1-methylethoxy)-;Vertec TIPT;
PSA 36.92000
LogP 3.50280

Synthetic route

: 7550-45-0
titanium tetrachloride

: 67-63-0
isopropyl alcohol

: 546-68-9
titanium(IV) isopropylate

Conditions

Conditions	Yield
With diethylamine In hexane at 0℃; for 1h; Reagent/catalyst; Inert atmosphere;	85%
With NH3 In benzene byproducts: NH4Cl; NH4Cl sepd., Ti(OiPr)4 distilled; elem. anal.;	70%
With sodium byproducts: NaCl; isopropanol was placed in flask, Na was added with heating, Ti-salt was introduced; extd. with hexane, centrifuged, solvents were distilled off, vac. distillation;	59.7%
With ammonia In benzene under N2; TiCl4 added slowly dropwise with stirring to alc. at 0°C; the resultant mixt. dild. with benzene; dry ammonia passed for 1 h; mixt. heated for 2-3 h on a water bath at 60-65°C; ppt. filtered off; distd. under vac.;
With trimethylamine In not given TiCl4 reacted with 2-propanol in the presence of trimethylamine;

: 683-60-3
sodium isopropylate

: 7550-45-0
titanium tetrachloride

: 546-68-9
titanium(IV) isopropylate

Conditions

Conditions	Yield
In neat (no solvent) byproducts: NaCl; Ar; extd. with hexane, NaCl was centrifuged;	60%

: 7440-32-6
titanium

: 67-63-0
isopropyl alcohol

: 546-68-9
titanium(IV) isopropylate

Conditions

Conditions	Yield
In not given Electrolysis; Ti anode, Pt cathode, Ar-atmosphere, stirring, 30 V/0.15 A, 16 h; soln. contg. various salts (Bu4NBr, Bu4NBF4, NaBr or other); distn. (50-60°C, 10 mm); elem. anal.;
With Bu4NBr In neat (no solvent) byproducts: H2; Electrochem. Process; Ar, at 30 V for 16 h; vac. distn.; elem. anal.;

: 18006-13-8
methyltriisopropoxytitanium(IV)

: 75-07-0
acetaldehyde

: 546-68-9
titanium(IV) isopropylate

Conditions

Conditions	Yield
In neat (no solvent) Ar-atmosphere; addn. of equimolar amt. of acetaldehyde to Ti-compd. at -15°C, stirring (room temp., 2 h);

: Ti2((R,R)-diisopropyl tartrate)(isopropoxide)6

A: 546-68-9
titanium(IV) isopropylate

B: {Ti((R,R)-diisopropyl tartrate)(isopropoxide)2}2

Conditions

Conditions	Yield
In dichloromethane-d2 not isolated (NMR investigation of the reaction mixture);

: 97823-34-2
TiBeAl(OC3H7)9

A: 546-68-9
titanium(IV) isopropylate

B: (CH3)2CHOBeAl(OCH(CH3)2)4

Conditions

Conditions	Yield
In neat (no solvent) TiBeAl(OPri)9 disproportionates on heating under reduced pressure;

: 97823-36-4
TiBe2Al2(OC3H7)14

A: 546-68-9
titanium(IV) isopropylate

B: (CH3)2CHOBeAl(OCH(CH3)2)4

Conditions

Conditions	Yield
In neat (no solvent) TiBe2Al2(OPri)14 disproportionates on heating under reduced pressure;

: 20717-86-6
triisopropoxytitanium(IV) chloride

: CH3CHCHCH2S(O)(C6H5)NCH3

A: 546-68-9
titanium(IV) isopropylate

: ((CH3)2CHO)2Ti(CH3CHCHCHS(O)(C6H5)NCH3)2

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran ligand reacted with n-BuLi (1.1 equiv.) in THF at -78°C; treated with Ti compd. (1.1 equiv.) at -78°C; warmed to room temp.; not isolated; detd. by NMR spectra;

...Expand

: 20717-86-6
triisopropoxytitanium(IV) chloride

: (CH3)2CHCHCHCH2S(O)(C6H5)NCH3

A: 546-68-9
titanium(IV) isopropylate

: ((CH3)2CHO)2Ti((CH3)2CHCHCHCHS(O)(C6H5)NCH3)2

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran ligand reacted with n-BuLi (1.1 equiv.) in THF at -78°C; treated with Ti compd. (1.1 equiv.) at -78°C; warmed to room temp.; not isolated; detd. by NMR spectra;

...Expand

: C6H11CHCHCH2S(O)(C6H5)NCH3

: 20717-86-6
triisopropoxytitanium(IV) chloride

A: 546-68-9
titanium(IV) isopropylate

: ((CH3)2CHO)2Ti(C6H11CHCHCHS(O)(C6H5)NCH3)2

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran ligand reacted with n-BuLi (1.1 equiv.) in THF at -78°C; treated with Ti compd. (1.1 equiv.) at -78°C; warmed to room temp.; not isolated; detd. by NMR spectra;

...Expand

: (Ti(CH3C(O)CHC(NCH2CH(CH3)O)CH3)(OCH(CH3)2)2)2

A: 546-68-9
titanium(IV) isopropylate

B: Ti(CH3C(O)CHC(NCH2CH(CH3)O)CH3)2

Conditions

Conditions	Yield
In neat (no solvent) under N2; heated under reduced pressure (ca. 1E-2 Torr);

: (Ti(CH3C(O)CHC(NCH2CH2O)CH3)(OCH(CH3)2)2)2

A: 546-68-9
titanium(IV) isopropylate

B: Ti(CH3C(O)CHC(NCH2CH2O)CH3)2

Conditions

Conditions	Yield
In neat (no solvent) under N2; heated under reduced pressure (ca. 1E-2 Torr);

: 616-45-5
2-pyrrolidinon

: Ti(4+)*Cl(1-)*2OCH(CH3)2(1-)*C4H6NO(1-)=TiCl(OCH(CH3)2)2(C4H6NO)

A: 546-68-9
titanium(IV) isopropylate

B: TiCl2(OiPr)2 * 2 2-pyrrolidinone

Conditions

Conditions	Yield
In dichloromethane dry N2-atmosphere; stirring of stoich. amts. (room temp., 1 h); evapn. (reduced pressure), dissoln. in pentane, pptn. on cooling, filtration, drying (vac.), recrystn. (pentane); elem. anal.;

...Expand

: (Ti(CH3C(O)CHC(NCH(CH3)CH2O)CH3)(OCH(CH3)2)2)2

A: 546-68-9
titanium(IV) isopropylate

B: Ti(CH3C(O)CHC(NCH(CH3)CH2O)CH3)2

Conditions

Conditions	Yield
In neat (no solvent) under N2; heated under reduced pressure (ca. 1E-2 Torr);

: (Ti((CH3)2CHC(O)CHC(NCH2CH(CH3)O)CH(CH3)2)(OCH(CH3)2)2)2

A: 546-68-9
titanium(IV) isopropylate

B: Ti((CH3)2CHC(O)CHC(NCH2CH(CH3)O)CH(CH3)2)2

Conditions

Conditions	Yield
In neat (no solvent) under N2; heated under reduced pressure (ca. 1E-2 Torr);

: 66752-45-2
diisopropoxy-bis(N,N-diethylamine-N-carbodithioato)titanium(IV)

A: 546-68-9
titanium(IV) isopropylate

B: 1148038-63-4
isopropoxy-tris(N'-methylpiperidine-N-carbodithioato)titanium(IV)

Conditions

Conditions	Yield
In chloroform-d1 identified by NMR;

: (Ti(CH3C(O)CHC(NCH2CH2O)CH3)(OCH(CH3)2)2)2

: 546-68-9
titanium(IV) isopropylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: neat (no solvent) 2: dichloromethane 3: neat (no solvent) View Scheme
Multi-step reaction with 3 steps 1: neat (no solvent) 2: dichloromethane 3: neat (no solvent) View Scheme

: 5883-81-8
2-anilinoacetophenone

: 546-68-9
titanium(IV) isopropylate

Conditions

Conditions	Yield
With ethylenediamine In methanol

: 546-68-9
titanium(IV) isopropylate

: 690678-19-4
C19H28N2OS

: 2C3H7O(1-)*2C18H25N2OS(1-)*Ti(4+)

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 2h;	100%

: 546-68-9
titanium(IV) isopropylate

: 18531-99-2
(S)-[1,1']-binaphthalenyl-2,2'-diol

: (S)-(-)-1,1'-bi-(2-naphthyIoxy)(diisopropoxy)titanium

Conditions

Conditions	Yield
With 4 A molecular sieve In dichloromethane at 18 - 25℃; for 1h;	100%
In dichloromethane at 20℃; for 1h; Molecular sieve;	100%

: 546-68-9
titanium(IV) isopropylate

: 100-52-7
benzaldehyde

: titanium(IV) oxide

Conditions

Conditions	Yield
In neat (no solvent) High Pressure; for 1 d at 200°C; XRD;	100%

: 546-68-9
titanium(IV) isopropylate

A: titanium(IV) oxide

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
In gas byproducts: CH3CHCH2; decomposition at a pressure of ca. 0.01 mm of Hg at 700°C; org. compounds collected in a liquid-N2 trap; NMR; GC; mass spectra;	A n/a B 100%

: 546-68-9
titanium(IV) isopropylate

: 67-56-1
methanol

: titanium(IV) methoxide

Conditions

Conditions	Yield
In methanol N2-atmosphere; stirring (1 h); washing (hexanes), drying (vac.);	100%
In methanol under N2 atm. titanium(IV) isopropoxide was added to excess methanol and resulting slurry was stirred for 4 h; solvent was removed under vac., product was purified by recrystn. from hot methanol;	96%

: 546-68-9
titanium(IV) isopropylate

: 293329-41-6
9-(Me3Si)fluorenyl-Si(OH)3

: [Me3SiFlSi]4O12[TiO(i)Pr]6[μ2-(i)PrO]2[μ3-O]2

Conditions

Conditions	Yield
With water In hexane under Ar atm. at room temp. Ti(OiPr)4 in hexane was added dropwise to suspn. 9-(Me3Si)Fluorenyl-Si(OH)3 and water in hexane, stirred for 15 h; volatiles were removed in vacuo, residue was dried in vacuo and recrystd. from hexane at -30°C; elem. anal.;	100%

: 546-68-9
titanium(IV) isopropylate

: (C9H6NC6H3OHCHN)2(CH2)4CHCH

: 98-54-4
para-tert-butylphenol

: (-)-(R,R)-Ti(quinoline-salen)(p-tBuC6H4O)2

Conditions

Conditions	Yield
In dichloromethane soln. of Ti-complex in CH2Cl2 was added to soln. of 4-t-butylphenol in CH2Cl2, ligand in CH2Cl2 was added, stirred for 10 min at room temp. under N2; concd. in vacuo, dried in vacuo with gentle heating for 3 h;	100%

...Expand

: 546-68-9
titanium(IV) isopropylate

: 796881-92-0
HOC(CF3)2CH2N(CH3)(CH2)2N(CH3)CH2C(CF3)2OH

: Ti(OC(CF3)2CH2N(CH3)(CH2)2N(CH3)CH2C(CF3)2O)(OCH(CH3)2)2

Conditions

Conditions	Yield
In toluene byproducts: i-PrOH; under Ar; soln. of ligand (1 equiv.) in toluene (-30°C) added dropwise over 5 min under stirring to soln. of Ti compd. in toluene (-30°C); warmed slowly to room temp. over 12 h under stirring; volatiles removed under vac.; washed with pentane; dried in vac.; elem. anal.;	100%

: 870994-10-8
C6H4(NHCH2C6H2Cl2(OH))2

: 546-68-9
titanium(IV) isopropylate

: [Ti(OCH(CH3)2)2(C6H4(NHCH2C6H2Cl2(O))2)]

Conditions

Conditions	Yield
In diethyl ether under N2, etheral soln. of ligand added to etheral soln. of metal compd.(1:1) at -30°C, warmed to room temp., stirred for 1 h; elem. anal.;	100%

: 870994-11-9
C6H4(NHCH2C6H2(C(CH3)3)2(OH))2

: 546-68-9
titanium(IV) isopropylate

: [Ti(OCH(CH3)2)2(C6H4(NHCH2C6H2(C(CH3)3)2(O))2)]

Conditions

Conditions	Yield
In diethyl ether under N2, etheral soln. of ligand added to etheral soln. of metal compd.(1:1) at -30°C, warmed to room temp., stirred for 1 h; recrystd. (pentane), elem. anal.;	100%

: 546-68-9
titanium(IV) isopropylate

: 796881-93-1
HOC(CF3)2CH2N(CH3)(CH2)3N(CH3)CH2C(CF3)2OH

: Ti(OC(CF3)2CH2N(CH3)(CH2)3N(CH3)CH2C(CF3)2O)(OCH(CH3)2)2

Conditions

Conditions	Yield
In toluene byproducts: i-PrOH; under Ar; soln. of ligand (1 equiv.) in toluene (-30°C) added dropwise over 5 min under stirring to soln. of Ti compd. in toluene (-30°C); warmed slowly to room temp. over 12 h under stirring; volatiles removed under vac.; washed with pentane; dried in vac.; elem. anal.;	100%

: 546-68-9
titanium(IV) isopropylate

: (1R,2S)-2-[(2-hydroxy-2-methylpropyl)(methyl)amino]-1-phenylpropan-1-ol

: MeN(CH2C(Me)2O)((S)-CH(Me)-(R)-CH(Ph)O)Ti(O-i-Pr)2

Conditions

Conditions	Yield
In chloroform byproducts: propan-2-ol; under Ar; Ti(Oi-Pr)4 (3.8 mmol) added dropwise to soln. of dialkanolamine (3.8 mmol) in CHCl3 under stirring; mixt. refluxed for 7 h; oily mixt. of diastereomers obtained;	100%

: 546-68-9
titanium(IV) isopropylate

: 64-19-7
acetic acid

: 108-21-4
Isopropyl acetate

Conditions

Conditions	Yield
at 180℃; for 48h; Autoclave;	100%

: 546-68-9
titanium(IV) isopropylate

: 636-72-6
2-thiophenemethanol

: 1346523-10-1
C16H24O4S2Ti

Conditions

Conditions	Yield
In cyclohexane Inert atmosphere; Reflux;	100%
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux;	100%

: 546-68-9
titanium(IV) isopropylate

: 100-51-6
benzyl alcohol

: 1346523-08-7
C20H28O4Ti

Conditions

Conditions	Yield
In cyclohexane Inert atmosphere; Reflux;	100%
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux;	100%

: 97-99-4
Tetrahydrofurfuryl alcohol

: 546-68-9
titanium(IV) isopropylate

: 1346523-06-5
C16H32O6Ti

Conditions

Conditions	Yield
In cyclohexane Inert atmosphere; Reflux;	100%
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux;	100%

: 98-00-0
(2-furyl)methyl alcohol

: 546-68-9
titanium(IV) isopropylate

: 1346523-07-6
C16H24O6Ti

Conditions

Conditions	Yield
In cyclohexane Inert atmosphere; Reflux;	100%
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux;	100%

: 546-68-9
titanium(IV) isopropylate

: 60-12-8
2-phenylethanol

: 1346523-09-8
C22H32O4Ti

Conditions

Conditions	Yield
In cyclohexane Inert atmosphere; Reflux;	100%
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux;	100%

: 546-68-9
titanium(IV) isopropylate

: 2360-04-5
2-diphenylphosphinoethanol

: 1346523-11-2
C34H42O4P2Ti

Conditions

Conditions	Yield
In cyclohexane Inert atmosphere; Reflux;	100%
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux;	100%

: 546-68-9
titanium(IV) isopropylate

: 2360-09-0
γ-diphenylphosphinopropyl alcohol

: 1346523-13-4
C36H46O4P2Ti

Conditions

Conditions	Yield
In cyclohexane Inert atmosphere; Reflux;	100%
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux;	100%

: 546-68-9
titanium(IV) isopropylate

: 15206-55-0
methyl 2-oxo-2-phenylacetate

: 31197-66-7
isopropyl benzoylformate

Conditions

Conditions	Yield
In toluene at 0 - 20℃; Inert atmosphere;	100%

: 546-68-9
titanium(IV) isopropylate

: 26907-82-4
N,N′-(1,1′-dithiobis(phenylene))bis(salicylideneimine)

: 1373878-87-5
[((SC6H4NCHC6H4O)2)Ti(OCH(CH3)2)2]

Conditions

Conditions	Yield
In chloroform Sonication; (Ar); suspn. of ligand (1 equiv.) in CHCl3 was stirred for 1 min; Ti compd. (1 equiv.) was added; stirred for few sec; sonicated at room temp. for 10 min; evapd. (vac.); elem. anal.;	100%

: 546-68-9
titanium(IV) isopropylate

: 85-44-9
phthalic anhydride

: 67-63-0
isopropyl alcohol

: 1410808-07-9
Ti2(OiPr)6(μ2-OOCC6H4COOiPr)(η1-OOCC6H4COOiPr)(iPrOH)

Conditions

Conditions	Yield
In neat (no solvent) Ti(OiPr)4 (3.8 mmol) added to suspn. of phthalic anhydride (3.8 mmol) iniPrOH under Ar, mixt. heated until clear soln. obtained, crystals obtai ned at room temp. within 24 h; detd. by 1H NMR, 13C NMR, IR, XRD;	100%

...Expand

: 546-68-9
titanium(IV) isopropylate

: 1418136-09-0
C30H40N2O3

: 1418142-91-2
C33H44N2O4Ti

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 2h; Inert atmosphere;	100%

: [tetra(3,5-dichloro-2-hydroxybenzyl)-N,N'-ethylenediamine]

: 546-68-9
titanium(IV) isopropylate

: 1418142-94-5
C30H20Cl8N2O4Ti

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 2h; Inert atmosphere;	100%

: 546-68-9
titanium(IV) isopropylate

: 1403990-41-9
C12H28N2O2

: 1403990-42-0
LTi(O-i-Pr)2

Conditions

Conditions	Yield
at 20℃;	100%

: 546-68-9
titanium(IV) isopropylate

: 7333-23-5
2,2,6-trimethyl-3,5-heptanedione

: bis(iso-propoxy)bis(2,2,6-trimethyl-3,5-heptanedionato)titanium

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 16h; Reflux;	100%

: 546-68-9
titanium(IV) isopropylate

: 28384-96-5
L-enterobactin

: potassium hydroxide

: C30H21N3O15Ti(2-)*2K(1+)

Conditions

Conditions	Yield
In methanol at 20℃; for 24h;	100%

...Expand

: 546-68-9
titanium(IV) isopropylate

: 1210052-82-6
C18H20I4N2O2

: C24H32I4N2O4Ti

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;	100%

: 546-68-9
titanium(IV) isopropylate

: 1574514-58-1
C18H21I2N3O4

: C24H33I2N3O6Ti

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;	100%

Titanium tetraisopropanolate Consensus Reports

Reported in EPA TSCA Inventory.

Titanium tetraisopropanolate Specification

The IUPAC name of Titanium tetraisopropanolate is propan-2-olate; titanium(4+). With the CAS registry number 546-68-9, it is also named as Titanium(IV) isopropoxide. The product's categories are Organic-metal salt; Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Synthetic Organic Chemistry; Ti (Titanium) Compounds; Titanium Alkoxides, etc. (Homogeneous Catalysts); Transition Metal Compounds. And the other registry numbers are 112797-74-7; 118815-04-6; 119651-13-7; 128796-34-9; 131530-94-4; 147809-57-2; 167709-32-2; 176680-01-6; 186518-71-8; 187601-75-8; 195382-13-9; 198699-88-6; 210407-18-4; 216859-04-0; 244173-55-5; 245654-31-3; 255839-65-7; 259264-35-2; 300564-30-1; 310882-94-1; 347859-73-8; 3651-85-2; 366477-01-2; 408306-55-8; 50336-56-6; 505093-57-2; 518050-49-2; 71515-81-6; 73264-97-8; 917485-01-9; 918419-31-5; 94340-28-0. Besides, it is colourless to light yellow liquid, which should be stored in sealed container in cool and dry place. In addition, it is stable, but incompatible with aqueous solutions, strong acids, strong oxidizing agents. It decomposes in the presence of moisture.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 0; (4)Exact Mass: 284.146706; (5)MonoIsotopic Mass: 284.146706; (6)Topological Polar Surface Area: 92.2; (7)Heavy Atom Count: 17; (8)Complexity: 10.8; (9)EINECS: 208-909-6; (10)Density: 0.96 g/mL at 20 °C(lit.); (11)Refractive index: 1.4654-1.4684; (12)Flash point: 46 °C; (13)Melting Point: 20 °C; (14)Boiling Point: 220 °C; (15)FreezingPoint 14.8 °C; (16)log P (octanol-water): 1.030; (17)Water solubility: hydrolysis; (18)Atmospheric OH Rate Constant: 4.87E-11 cm³/molecule-sec at 25 °C.

Preparation of Titanium tetraisopropanolate: please put Titanium tetrachloride, Isopropyl alcohol and liquid Ammonia in Toluene to esterize. And then please filter it to clear Ammonium chloride away. At last, you would get this product by distilling.

Uses of Titanium tetraisopropanolate: this chemical can be used as adhesive for the preparation of metal and rubber, metal and plastic. It also can be used as catalyst in ester exchange reaction and polymerization. Besides, it is used as raw materials in pharmaceutical industry.

When you are using this chemical, please be cautious about it as the following: it is highly flammable. Please keep away from sources of ignition. It is also rritating to eyes, respiratory system and skin. Pleas keep container tightly closed in a well-ventilated place. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C
(2)InChI:InChI=1/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4/rC12H28O4Ti/c1-9(2)13-17(14-10(3)4,15-11(5)6)16-12(7)8/h9-12H,1-8H3
(3)InChIKey:VXUYXOFXAQZZMF-MISLEXHXAP
(4)Std. InChI:InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
(5)Std. InChIKey:VXUYXOFXAQZZMF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 16mL/kg (16mL/kg)		Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat	LD50	oral	7460uL/kg (7.46mL/kg)		Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Product Name

Titanium tetraisopropanolate

Synthetic route

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