ChemicalBook--->CAS DataBase List--->546-68-9

546-68-9

546-68-9 Structure

546-68-9 Structure
IdentificationMore
[Name]

Titanium tetraisopropanolate
[CAS]

546-68-9
[Synonyms]

ISOPROPYL TITANATE
ISOPROPYL TITANATE(IV)
ORTHOTITANIC ACID TETRAISOPROPYL ESTER
TETRAISOPROPYL ORTHOTITANATE
TETRAISOPROPYL TITANATE
TITANIC ACID TETRAISOPROPYL ESTER
TITANIUM(+4)ISOPROPOXIDE
TITANIUM ISOPROPOXIDE
TITANIUM ISO-PROPYLATE
TITANIUM (IV) I-PROPOXIDE
TITANIUM(IV) ISOPROPOXIDE
TITANIUM (IV) TETRA-I-PROPOXIDE
TITANIUM(IV) TETRAISOPROPOXIDE
Titanium tetraisopropanolate
TITANIUM TETRAISOPROPOXIDE
TITANIUM TETRAISOPROPYLATE
TYZOR(R) ORGANIC TITANATE
VERTEC(TM) TIPT
2-Propanol,titanium(4+)salt
2-propanol,titanium(4++)salt
[EINECS(EC#)]

208-909-6
[Molecular Formula]

C12H28O4Ti
[MDL Number]

MFCD00008871
[Molecular Weight]

284.22
[MOL File]

546-68-9.mol
Chemical PropertiesBack Directory
[Appearance]

colourless to light yellow liquid
[Melting point ]

14-17 °C(lit.)
[Boiling point ]

232 °C(lit.)
[density ]

0.96 g/mL at 20 °C(lit.)
[vapor pressure ]

60.2hPa at 25℃
[refractive index ]

n20/D 1.464(lit.)
[Fp ]

72 °F
[storage temp. ]

Flammables area
[solubility ]

Soluble in anhydrous ethanol, ether, benzene and chloroform.
[form ]

Liquid
[color ]

Colorless to pale yellow
[Specific Gravity]

0.955
[Stability:]

Stable, but decomposes in the presence of moisture. Incompatible with aqueous solutions, strong acids, strong oxidizing agents. Flammable.
[Water Solubility ]

HYDROLYSIS
[FreezingPoint ]

14.8℃
[Hydrolytic Sensitivity]

7: reacts slowly with moisture/water
[Sensitive ]

Moisture Sensitive
[Detection Methods]

NMR
[Merck ]

14,9480
[BRN ]

3679474
[InChIKey]

VXUYXOFXAQZZMF-UHFFFAOYSA-N
[CAS DataBase Reference]

546-68-9(CAS DataBase Reference)
[Storage Precautions]

Moisture sensitive;Store under nitrogen
[EPA Substance Registry System]

546-68-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,F
[Risk Statements ]

R10:Flammable.
R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
R11:Highly Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 2413 3/PG 3
[WGK Germany ]

2
[RTECS ]

NT8060000
[F ]

21
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29051900
[Hazardous Substances Data]

546-68-9(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Toluene-->Isopropyl alcohol-->Titanium tetrachloride-->(S)-tert-Butyl 6-amino-2-((tert-butoxycarbonyl)amino)hexanoate hydrochloride-->2-Anilinoacetophenone-->METHYLTITANIUM TRIISOPROPOXIDE-->CHLOROTITANIUM TRIISOPROPOXIDE-->Sodium propan-2-olate-->Titanium
[Preparation Products]

(+)-DISPARLURE-->6-FLUORO-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBONITRILE-->6-FLUORO-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBOXYLIC ACID-->3-PHENOXYBENZALDEHYDE CYANOHYDRIN-->2,3-DIHYDROXYPROPYL METHACRYLATE-->Ti(BINOL)complex-->TETRAISOPROPYL ORTHOSILICATE-->Glycine, N-[(1,1-dimethylethoxy)carbonyl]-, 1-methylethyl ester (9CI)-->N,N,N',N'-TETRAKIS(2-ETHOXY)ETHYLEDIAMINE TITANIUM(IV)
Hazard InformationBack Directory
[General Description]

A water-white to pale-yellow liquid with an odor like isopropyl alcohol. About the same density as water and . Flash point 66°F. Vapors heavier than air.
[Reactivity Profile]

Metal alkyls, such as TETRAISOPROPYL TITANATE, are reducing agents and react rapidly and dangerously with oxygen and with other oxidizing agents, even weak ones. Thus, they are likely to ignite on contact with alcohols.
[Air & Water Reactions]

Highly flammable. Fumes in air. Soluble in water. Decomposes rapidly in water to form flammable isopropyl alcohol.
[Health Hazard]

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
[Chemical Properties]

colourless to light yellow liquid
[Uses]

Catalyst especially for asymmetric induction in organic syntheses; in preparation of nanosized TiO2. Complexing agent in sol-gel process.
[Definition]

ChEBI: Titanium(IV) isopropoxide is a titanium coordination entity consisting of a titanium(IV) cation with four propan-2-olate anions as counterions.
[Flammability and Explosibility]

Flammable
[Purification Methods]

Dissolve it in dry *C6H6 , filter if a solid separates, evaporate and fractionate. It is hydrolysed by H2O to give solid Ti2O(iso-OPr)2 m ca 48o. [Bradley et al. J Chem Soc 2027, 1952, Bradley et al. J Chem Soc 469 1957, Beilstein 1 II 328, 1 IV 1469S.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Titanium(IV) isopropoxide(546-68-9).msds
Questions And AnswerBack Directory
[Reactions]

  • Catalyst for the synthesis of acyclic epoxy alcohols and allylic epoxy alcohols.
  • Useful for diastereoselective reduction of alpha-fluoroketones.
  • Catalyzes the asymmetric allylation of ketones.
  • Reagent for the synthesis of cyclopropylamines from aryl and alkenyl nitriles.
  • Useful for racemic and/or enantioselective addition of nucleophiles to aldehydes, ketones and imines.
  • Catalytic intramolecular formal [3+2] cycloaddition.
  • Catalyst for the synthesis of cyclopropanols from esters and organomagnesium reagents
Reactions of 546-68-9
Spectrum DetailBack Directory
[Spectrum Detail]

Titanium tetraisopropanolate(546-68-9)MS
Titanium tetraisopropanolate(546-68-9)1HNMR
Titanium tetraisopropanolate(546-68-9)13CNMR
Titanium tetraisopropanolate(546-68-9)IR1
Titanium tetraisopropanolate(546-68-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Titanium(IV) isopropoxide, 98+%(546-68-9)
[Alfa Aesar]

Titanium(IV) isopropoxide, VERTEC TIPT, 97+%(546-68-9)
[Sigma Aldrich]

546-68-9(sigmaaldrich)
[TCI AMERICA]

Tetraisopropyl Orthotitanate(546-68-9)
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