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  • 5593-70-4 Structure
  • Basic information

    1. Product Name: Tetrabutyl titanate
    2. Synonyms: 1-Butanol, titanium(4+) salt;1-Butanol,titanium(4+)salt;1-butanol,titanium(4++)salt;b1(titanate);Butyl alcohol, titanium(4+) salt;Butyl orthotitanate;Butyl titanate(IV) ((BuO)4Ti);butylalcohol,titanium(4+)salt
    3. CAS NO:5593-70-4
    4. Molecular Formula: 4C4H9O*Ti
    5. Molecular Weight: 340.32
    6. EINECS: 227-006-8
    7. Product Categories: 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;metal alkoxide;TITANIUM
    8. Mol File: 5593-70-4.mol
    9. Article Data: 2
  • Chemical Properties

    1. Melting Point: -55°C
    2. Boiling Point: 206 °C10 mm Hg(lit.)
    3. Flash Point: 55 °F
    4. Appearance: Pale yellow/Liquid
    5. Density: 1.00 g/mL at 20 °C(lit.)
    6. Vapor Pressure: 5.6 hPa (20 °C)
    7. Refractive Index: n20/D 1.491(lit.)
    8. Storage Temp.: Flammables area
    9. Solubility: Miscible with aliphatic, aromatic, chlorinated and oxygenated so
    10. Explosive Limit: 2.0-12.0%(V)
    11. Water Solubility: RAPIDLY HYDROLIZED
    12. Sensitive: Moisture Sensitive
    13. Stability: Stable, but moisture sensitive. Flammable. Incompatible with water, moisture, strong oxidizing agents, strong acids.
    14. BRN: 4148236
    15. CAS DataBase Reference: Tetrabutyl titanate(CAS DataBase Reference)
    16. NIST Chemistry Reference: Tetrabutyl titanate(5593-70-4)
    17. EPA Substance Registry System: Tetrabutyl titanate(5593-70-4)
  • Safety Data

    1. Hazard Codes: Xi,T
    2. Statements: 10-36/37/38-67-41-37/38-45
    3. Safety Statements: 16-26-39-24/25-53
    4. RIDADR: UN 1993 3/PG 3
    5. WGK Germany: 1
    6. RTECS: XR1585000
    7. F: 21
    8. TSCA: Yes
    9. HazardClass: 8
    10. PackingGroup: III
    11. Hazardous Substances Data: 5593-70-4(Hazardous Substances Data)

5593-70-4 Usage

Description

Tetrabutyl titanate, also known as Titanium(IV) butoxide, is an organometallic compound with the chemical formula Ti(OC4H9)4. It is a colorless liquid at room temperature and is soluble in organic solvents. It is used as a catalyst, intermediate, and additive in various applications.

Uses

Used in Chemical Synthesis:
Tetrabutyl titanate is used as a catalyst and intermediate in ester exchange reactions, facilitating the formation of esters from alcohols and carboxylic acids.
Used in Paints and Coatings Industry:
Tetrabutyl titanate is used as a cross-linking agent and condensation catalyst in the production of heat-resistant paints that can withstand temperatures up to 500°C. It also improves the adhesion of paints, rubber, and plastics to metal surfaces, enhancing the durability and performance of the coatings.
Used in Nanotechnology:
Tetrabutyl titanate is used in the preparation of nanosized titania powders in the anatase form and ferroelectric bismuth titanate thin films. It is also involved in the preparation of nanocrystalline titanium dioxide powders at room temperature, which have various applications in the field of nanotechnology.
Used in Solar Energy Applications:
Tetrabutyl titanate is a sourcing material for the preparation of titanium oxide (TiO2), which can be used in dye-sensitized solar cells (DSSCs). These solar cells have the potential to convert sunlight into electricity with high efficiency and are considered a promising alternative to traditional silicon-based solar cells.
Used in Photocatalytic and Self-Cleaning Coatings:
Titanium dioxide, prepared from tetrabutyl titanate, is used in photocatalytic and self-cleaning coatings. These coatings have the ability to break down organic pollutants and dirt under sunlight, making them ideal for use in architectural and automotive applications.

Air & Water Reactions

Soluble in water. Reacts with water to form butanol and titanium dioxide, the reaction is not generally thought to be hazardous.

Health Hazard

LIQUID: Irritating to skin and eyes. If swallowed will cause nausea and vomiting.

Fire Hazard

Combustible. Containers may explode in fire. May give off dense white smoke. Containers may explode.

Flammability and Explosibility

Flammable

Safety Profile

Suspected carcinogen. A poison by intravenous route. Moderately toxic by ingestion. See n-BUTYL ALCOHOL and TITANIUM COMPOUNDS. Flammable when exposed to heat or flame. To fight fire, use water, spray, foam, dry chemical. Incompatible with oxidizing materials. When heated to decomposition it emits acrid and irritating fumes.

Purification Methods

Dissolve it in *C6H6, filter if solid is present, evaporate and vacuum fractionate through a Widmer 24inch column (p 11). The ester hydrolyses when exposed to air to give hydrated ortho-titanic acid. The titanium content can be determined thus: weigh a sample (ca 0.25g) into a weighed crucible and cover it with 10mL of H2O and a few drops of conc HNO3. Heat (hot plate) carefully till most of the H2O has evaporated. Cool and add more H2O (10mL) and conc HNO3 (2mL), and evaporate carefully (no spillage) to dryness and ignite the residue at 600-650o/1hour. Weigh the residual TiO2. [Bradley et al. J Chem Soc 2773 1952, Speer J Org Chem 14 655 1949, Beilstein 1 II 398, 1 III 1515, 1 IV 1415.]

Check Digit Verification of cas no

The CAS Registry Mumber 5593-70-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,5,9 and 3 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5593-70:
(6*5)+(5*5)+(4*9)+(3*3)+(2*7)+(1*0)=114
114 % 10 = 4
So 5593-70-4 is a valid CAS Registry Number.
InChI:InChI=1/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4/rC16H36O4Ti/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3

5593-70-4 Well-known Company Product Price

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  • Alfa Aesar

  • (77124)  Titanium(IV) n-butoxide, 99+%   

  • 5593-70-4

  • 10g

  • 158.0CNY

  • Detail
  • Alfa Aesar

  • (77124)  Titanium(IV) n-butoxide, 99+%   

  • 5593-70-4

  • 100g

  • 266.0CNY

  • Detail
  • Alfa Aesar

  • (77124)  Titanium(IV) n-butoxide, 99+%   

  • 5593-70-4

  • 500g

  • 510.0CNY

  • Detail
  • Alfa Aesar

  • (77124)  Titanium(IV) n-butoxide, 99+%   

  • 5593-70-4

  • 2kg

  • 1481.0CNY

  • Detail
  • Aldrich

  • (244112)  Titanium(IV)butoxide  reagent grade, 97%

  • 5593-70-4

  • 244112-5G

  • 408.33CNY

  • Detail
  • Aldrich

  • (244112)  Titanium(IV)butoxide  reagent grade, 97%

  • 5593-70-4

  • 244112-100G

  • 485.55CNY

  • Detail
  • Aldrich

  • (244112)  Titanium(IV)butoxide  reagent grade, 97%

  • 5593-70-4

  • 244112-500G

  • 891.54CNY

  • Detail
  • Aldrich

  • (244112)  Titanium(IV)butoxide  reagent grade, 97%

  • 5593-70-4

  • 244112-2KG

  • 2,740.14CNY

  • Detail
  • Sigma-Aldrich

  • (86910)  Titanium(IV)butoxide  purum, ≥97.0% (gravimetric)

  • 5593-70-4

  • 86910-250ML

  • 672.75CNY

  • Detail
  • Sigma-Aldrich

  • (86910)  Titanium(IV)butoxide  purum, ≥97.0% (gravimetric)

  • 5593-70-4

  • 86910-1L

  • 2,258.10CNY

  • Detail

5593-70-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Tetrabutyl titanate

1.2 Other means of identification

Product number -
Other names BUTYL TITANATE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5593-70-4 SDS

5593-70-4Synthetic route

titanium tetrachloride
7550-45-0

titanium tetrachloride

butan-1-ol
71-36-3

butan-1-ol

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

Conditions
ConditionsYield
With NH4NO3-NH3 In toluene soln. of TiCl4 added to alcohol with cooling and stirring, soln. added to NH4NO3-NH3 with stirring and cooling at 0-15°C; organic layer separated, solvent removed, product distilled under vacuum;86%
With formamide In butan-1-ol byproducts: NH4Cl; soln. of TiCl4 added to alcohol with cooling and stirring, HCONH2 added, mixture boiled with stirring for 5-6 h, cooled; NH4Cl separated by filtration or HCONH2 added with stirring, product distilled under vacuum;66%
With formamide In n-heptane byproducts: NH4Cl; soln. of TiCl4 added to alcohol with cooling and stirring, HCONH2 added, mixture boiled with stirring for 5-6 h, cooled; NH4Cl separated by filtration or HCONH2 added with stirring, product distilled under vacuum;60%
butan-1-ol
71-36-3

butan-1-ol

TiCl4

TiCl4

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

Conditions
ConditionsYield
With ammonia
With sodium; benzene
With ammonia
sodium butanolate
2372-45-4

sodium butanolate

titanium tetrachloride

titanium tetrachloride

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

Conditions
ConditionsYield
unter Kuehlung und nachfolgendes Erhitzen des Reaktionsgemisches zum Sieden;
titanium
7440-32-6

titanium

butan-1-ol
71-36-3

butan-1-ol

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

Conditions
ConditionsYield
Electrochem. Process; anodic oxidn. of Ti in BuOH (dry argon);
water
7732-18-5

water

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

titanium oxobutoxide *99C4H9OH

titanium oxobutoxide *99C4H9OH

Conditions
ConditionsYield
In butan-1-ol Kinetics; mixing 0.2 M butoxide and 3.0 M water (pptn.), stay for 1440 min; detd. by photocolorimetry, thermal analysis;97%
In butan-1-ol Kinetics; mixing 0.4 M butoxide and 0.4 M water (pptn.), stay for 4 h, addn. 1 volume part of 2.8 M water, stay for 4320 min; detd. by photocolorimetry, thermal analysis;97.1%
In butan-1-ol Kinetics; mixing 0.2 M butoxide and 3.0 M water (pptn.), stay for 240 min; detd. by photocolorimetry, thermal analysis;95.5%
4-(2,3-dihydro-1H-inden-5-yloxy)phthalonitrile
864862-42-0

4-(2,3-dihydro-1H-inden-5-yloxy)phthalonitrile

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

2(3),9(10),16(17),23(24)-tetra(2,3-dihydro-1H-inden-5-yloxy)phthalocyaninatotitanium(IV) oxide

2(3),9(10),16(17),23(24)-tetra(2,3-dihydro-1H-inden-5-yloxy)phthalocyaninatotitanium(IV) oxide

Conditions
ConditionsYield
With urea In octanol at 150℃; for 6h;94.1%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

PDES

PDES

Diaethyl-dibutyloxy-silan
18127-33-8

Diaethyl-dibutyloxy-silan

Conditions
ConditionsYield
at 270℃;92%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

PDMS-II

PDMS-II

dimethyldibutoxysilane
1591-02-2

dimethyldibutoxysilane

Conditions
ConditionsYield
at 260℃;91%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

PEPS

PEPS

Dibutoxyaethylphenylsilan

Dibutoxyaethylphenylsilan

Conditions
ConditionsYield
at 240℃;88%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

PDMS-III

PDMS-III

dimethyldibutoxysilane
1591-02-2

dimethyldibutoxysilane

Conditions
ConditionsYield
at 245℃;87%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

PMS-100

PMS-100

dimethyldibutoxysilane
1591-02-2

dimethyldibutoxysilane

Conditions
ConditionsYield
at 120℃;87%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

PMPS

PMPS

di(butoxy)(methyl)(phenyl)silane
15576-83-7

di(butoxy)(methyl)(phenyl)silane

Conditions
ConditionsYield
at 140℃;87%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

urea
57-13-6

urea

phthalonitrile
91-15-6

phthalonitrile

oxo(phthalocyaninato)titanium(IV)
26201-32-1

oxo(phthalocyaninato)titanium(IV)

Conditions
ConditionsYield
In further solvent(s) byproducts: NH3, 1-octyl carbamate; N2 atmosphere; stirring alkoxide, urea and DCNB (150°C., 6 h, in 1-octanol); addn. of MeOH, refluxing (30 min, crystn.), filtration, washing (toluene, MeOH, H2O), drying (100°C, 1 Torr, 3 - 6 h); elem. anal.;86.2%
In benzyl alcohol stirring alkoxide, urea and DCNB (140 - 150°C.);77%
In pentan-1-ol stirring alkoxide, urea and DCNB (140 - 150°C.);77%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

PDMS-I

PDMS-I

dimethyldibutoxysilane
1591-02-2

dimethyldibutoxysilane

Conditions
ConditionsYield
at 240℃;82%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

benzaldehyde
100-52-7

benzaldehyde

benzaldehyde di-n-butylacetal
5395-08-4

benzaldehyde di-n-butylacetal

Conditions
ConditionsYield
With titanium tetrachloride In hexane; toluene for 24h; Ambient temperature;78%
benzamide
55-21-0

benzamide

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

phthalonitrile
91-15-6

phthalonitrile

oxo(phthalocyaninato)titanium(IV)
26201-32-1

oxo(phthalocyaninato)titanium(IV)

Conditions
ConditionsYield
In further solvent(s) stirring alkoxide, benzamide and DCNB (140 - 150°C., in 1-octanol);78%
ammonia
7664-41-7

ammonia

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

phthalonitrile
91-15-6

phthalonitrile

oxo(phthalocyaninato)titanium(IV)
26201-32-1

oxo(phthalocyaninato)titanium(IV)

Conditions
ConditionsYield
In further solvent(s) addn. of DCBN and solvent (1-octanol) to mixt. of alkoxide and liquid NH3, heating (155°C);77%
In further solvent(s) NH3 atmosphere (bubbling); stirring alkoxide and DCNB (150°C., in1-octanol);75%
water
7732-18-5

water

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

titanium oxobutoxide *0.3C4H9OH

titanium oxobutoxide *0.3C4H9OH

Conditions
ConditionsYield
In butan-1-ol Kinetics; mixing 0.1 M butoxide and 1.5 M water (pptn.), stay for 11400 min; detd. by photocolorimetry, thermal analysis;73.8%
In butan-1-ol Kinetics; mixing 0.1 M butoxide and 1.5 M water (pptn.), stay for 1440 min; detd. by photocolorimetry, thermal analysis; elem. anal.;53.7%
In butan-1-ol Kinetics; mixing 0.1 M butoxide and 1.5 M water (pptn.), stay for 360 min; detd. by photocolorimetry, thermal analysis; elem. anal.;29.1%
acetamide
60-35-5

acetamide

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

phthalonitrile
91-15-6

phthalonitrile

oxo(phthalocyaninato)titanium(IV)
26201-32-1

oxo(phthalocyaninato)titanium(IV)

Conditions
ConditionsYield
In further solvent(s) stirring alkoxide, acetamide and DCNB (140 - 150°C., in 1-octanol);71%
carbon monoxide
201230-82-2

carbon monoxide

1-Naphthalenesulfonyl chloride
85-46-1

1-Naphthalenesulfonyl chloride

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

A

naphthalene-1-carboxylic acid butyl ester
3007-95-2

naphthalene-1-carboxylic acid butyl ester

B

1,2-di(naphthalen-1-yl)disulfane
39178-11-5

1,2-di(naphthalen-1-yl)disulfane

Conditions
ConditionsYield
tetrakis(triphenylphosphine) palladium(0) In acetonitrile at 150 - 160℃; under 7600 Torr;A 43%
B 14%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

Trimethylacetic acid
75-98-9

Trimethylacetic acid

14C5H9O2(1-)*6C4H9O(1-)*18Ti(4+)*6C4H9O(1-)*2HO(1-)*22O(2-)

14C5H9O2(1-)*6C4H9O(1-)*18Ti(4+)*6C4H9O(1-)*2HO(1-)*22O(2-)

Conditions
ConditionsYield
In tert-butyl alcohol at 80℃; for 96h;41%
titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

triethylamine
121-44-8

triethylamine

1,3,5-tris(2,3-dihydroxybenzamido)benzene
213119-80-3

1,3,5-tris(2,3-dihydroxybenzamido)benzene

8(C2H5)3NH(1+)*C108H60N12O36Ti4(8-)=[(C2H5)3NH]8[C108H60N12O36Ti4]

8(C2H5)3NH(1+)*C108H60N12O36Ti4(8-)=[(C2H5)3NH]8[C108H60N12O36Ti4]

Conditions
ConditionsYield
In methanol addn. of soln. of butoxide to soln. of ligand and triethylamine, stirring (ambient temp., 12 h, pptn.); centrifugation, suspn. in DMF, refluxing (N2 atmosphere, 12 h), filtration, evapn. to dryness (vac.);37%
colchicine
64-86-8

colchicine

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

10-butyl-10-demethylcolchicine

10-butyl-10-demethylcolchicine

Conditions
ConditionsYield
In butan-1-ol for 17h; Heating;29%
maleic anhydride
108-31-6

maleic anhydride

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

mon-n-butyl maleate
925-21-3

mon-n-butyl maleate

3-methyl-butan-2-one
563-80-4

3-methyl-butan-2-one

Ketene
463-51-4

Ketene

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

3-Hydroxy-3,4-dimethyl-pentanoic acid butyl ester
54074-72-5

3-Hydroxy-3,4-dimethyl-pentanoic acid butyl ester

Conditions
ConditionsYield
(i), (ii) aq. H2SO4; Multistep reaction;
phthalic anhydride
85-44-9

phthalic anhydride

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

phthalic acid monobutyl ester
131-70-4

phthalic acid monobutyl ester

o-phenylene chlorophosphate
1499-17-8

o-phenylene chlorophosphate

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

Bis-<1,2-benzendioxyphosphinyloxy>-dibutoxy-titan

Bis-<1,2-benzendioxyphosphinyloxy>-dibutoxy-titan

Conditions
ConditionsYield
at 100℃; under 1 - 2 Torr;
octamethylcyclotetrasiloxane
556-67-2

octamethylcyclotetrasiloxane

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

dimethyldibutoxysilane
1591-02-2

dimethyldibutoxysilane

Conditions
ConditionsYield
at 180℃;
octamethylcyclotetrasiloxane
556-67-2

octamethylcyclotetrasiloxane

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

1,3-dibutoxy-1,1,3,3-tetramethyldisiloxane
18043-98-6

1,3-dibutoxy-1,1,3,3-tetramethyldisiloxane

Conditions
ConditionsYield
at 180℃;
octamethylcyclotetrasiloxane
556-67-2

octamethylcyclotetrasiloxane

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

hexamethyl-1,5-di-n-butoxy-trisiloxane
17866-36-3

hexamethyl-1,5-di-n-butoxy-trisiloxane

Conditions
ConditionsYield
at 180℃;
octamethylcyclotetrasiloxane
556-67-2

octamethylcyclotetrasiloxane

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

1,7-Dibutyloxy-octamethyl-tetrasiloxan
18547-28-9

1,7-Dibutyloxy-octamethyl-tetrasiloxan

Conditions
ConditionsYield
at 180℃;
octaethylcyclotetrasiloxane
1451-99-6

octaethylcyclotetrasiloxane

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

Diaethyl-dibutyloxy-silan
18127-33-8

Diaethyl-dibutyloxy-silan

Conditions
ConditionsYield
at 180℃;
2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-cyclotetrasiloxane
2554-06-5

2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-cyclotetrasiloxane

titanium (IV) butoxide
5593-70-4

titanium (IV) butoxide

Dibutyloxy-methyl-vinyl-silan
18002-58-9

Dibutyloxy-methyl-vinyl-silan

Conditions
ConditionsYield
at 180℃;

5593-70-4Relevant articles and documents

Boyd

, p. 591,596 (1951)

SYNTHESIS OF ALKYL ORTHOTITANATES IN TWO-PHASE SYSTEMS.

Yatluk,Suvorov

, p. 1678 - 1680 (2008/10/08)

The authors have carried out an investigation aimed at development of more convenient methods for production of alkyl orthotitanates in two-phase systems. In studies of the reaction of titanium tetrachloride with alcohols in presence of organic amides the authors found that the latter are not indifferent solvents but take part in the reaction. The interaction of titanium tetrachloride, an organic amide, and an alcohol in 1:4:(8-9. 6) molar ratio results in splitting of the amide and formation of the corresponding amine hydrochloride and ester.

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