Titantetraisopropanolat
Titanium isopropoxide
Grundinformationen
- CAS
546-68-9- Standard-SMILES
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]- InChIKey
VXUYXOFXAQZZMF-UHFFFAOYSA-N- Summenformel
- C12H28O4Ti
- Durchschnittliche Molmasse
- 284,22 g/mol
- Monoisotopische Masse
- 284,14670568
Überblick
Tetraisopropyl titanate appears as a water-white to pale-yellow liquid with an odor like isopropyl alcohol. About the same density as water. Vapors heavier than air.
Namen und Bezeichner
- Bevorzugter Name
- Titanium isopropoxide
- IUPAC
- tetrakis(propan-2-olate);titanium(4+)
- Lokaler Name
- Titantetraisopropanolat
- Englischer Name
- Titanium tetraisopropanolate
- Summenformel
- C12H28O4Ti
- Molmasse
- 284.22
Namen und Synonyme
546-68-9Titanium(IV) isopropoxideTitanium isopropoxideTitanium tetraisopropylateTETRAISOPROPYL TITANATETilcom TIPTTetraisopropoxytitaniumTitanium isopropylateTetraisopropoxytitanium(IV)TetraisopropanolatotitaniumIsopropyl orthotitanateIsopropyl titanate(IV)
Weitere Namen anzeigen
Ti(OiPr)4TITANIUM TETRAISOPROPOXIDETTIPTETRAISOPROPYL ORTHOTITANATEISOPROPYL TITANATETitanium(Ⅳ) isopropoxide
A 1 (titanate)Orgatix TA 10Tetrakis(isopropoxy)titaniumTyzor TPTTetraisopropoxide titaniumIsopropyl alcohol, titanium saltTitanic acid tetraisopropyl esterTitanium tetra-n-propoxide
Datenbank-Bezeichner
- CAS
546-68-9- PubChem CID
- 11026
- DTXSID
DTXSID5027196- ChEBI
CHEBI:139496- UNII
- 76NX7K235Y
- EC Number
- 208-909-6、651-908-4
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 92,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 10,8
Experimentelle und physikochemische Eigenschaften
Chemical ClassesMetals -> Metal Alkoxides
Density
0.9711 @ 20 °C/4 °C
0.9711 @ 20°C
Viscosity2.11 centipoises @ 25 °C (apparent)
Color/Form
Light-yellow liquid
Colorless to light-yellowish fluid
SolubilitySol in anhydrous ethanol, ether, benzene, chloroform
Boiling Point
220 °C @ 760 mm Hg
220 °C @760 [mm Hg]
DecompositionWhen heated to decomposition it emits acrid smoke & irritating fumes.
Melting PointApprox 20 °C
Vapor Density9.8 (AIR= 1)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Refractive IndexIndex of refraction: 1.46
Physical Description
Tetraisopropyl titanate appears as a water-white to pale-yellow liquid with an odor like isopropyl alcohol. About the same density as water. Vapors heavier than air.
Liquid; CBI
Liquid; mp = 18-20 deg C; [Merck Index] Colorless to light yellow liquid; [HSDB] Light yellow liquid; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 14 · 14-17 °C(lit.)
- Siedepunkt
- 232 °C · 232 °C(lit.)
- Dichte
- 0.96 g/mL · 0.96 g/mL at 20 °C(lit.)
- Dampfdruck
- 60.2 hPa · 60.2hPa at 25℃
- Brechungsindex
- 20 · n20/D 1.464(lit.)
- Flammpunkt
- 72 °F · 72 °F
- storage temp.
- Flammables area
- Löslichkeit
- Soluble in anhydrous ethanol, ether, benzene and chloroform.
- Aggregatzustand
- Liquid
- Wichte
- 0.955 · 0.955
- Farbe
- Colorless to pale yellow
- Wasserlöslichkeit
- HYDROLYSIS
- Merck
- 14 · 14,9480
- BRN
- 3679474 · 3679474
- Stabilität
- Stable, but decomposes in the presence of moisture. Incompatible with aqueous solutions, strong acids, strong oxidizing agents. Flammable.
- InChI
- 1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
- InChIKey
- VXUYXOFXAQZZMF-UHFFFAOYSA-N
- SMILES
- CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C
- LogP
- 0.05 · 0.05
- CAS Datenbank
- 546 · 546-68-9(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Propanol, titanium(4+) salt (546-68-9)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (23 of 1323) of reports.
Danger
H226 (79.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1323 reports by companies from 37 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propanol, titanium(4+) salt
2-Propanol, titanium(4+) salt (4:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, titanium(4+) salt (4:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 30-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14879
Tetraisopropyl orthotitanate: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Fire PotentialMODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards Summary
Flammable and moisture sensitive; [Merck Index] Irritating to skin and eyes; Oral LD50 (rat) = 7460 mg/kg; [Sax] A strong reducing agent; Rapidly decomposed by water producing isopropyl alcohol; Highly flammable; Fumes in air; May cause skin and eye irritation; [CAMEO] An eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline] See Titanium. See Isopropyl alcohol.
FDA RequirementsTetra-isopropyl titanate is an indirect food additive for use only as a component of adhesives.
Reactive GroupBases, Strong
Reactivity AlertsHighly Flammable
Reactivity ProfileTETRAISOPROPYL TITANATE is a metal alkoxide, a strong base.
Air and Water ReactionsHighly flammable. Fumes in air. Soluble in water. Decomposes rapidly in water to form flammable isopropyl alcohol.
Hazard Classes and Categories
Flam. Liq. 3 (79.8%)
Flammable liquids - Category 3
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Fire Fighting Procedures
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Use "alcohol" foam, dry chemical or carbon dioxide. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Keep run-off water out of sewers and water sources.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Preventive Measures
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard.
Personnel protection: Keep upwind. Avoid breathing vapors. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Avoid bodily contact with the material.
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC)
5.2 [mg/m3]
57 [mg/m3]
340 [mg/m3]
Personal Protective Equipment (PPE)
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personnel protection: ... Wear appropriate chemical protective gloves, boots and goggles.
Toxikologische Informationen
Non-Human Toxicity ValuesLD50 Rat oral 7460 mg/kg
Regulatorische Informationen
FDA RequirementsTetra-isopropyl titanate is an indirect food additive for use only as a component of adhesives.
Sicherheitsdaten
- F
- 21
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2413 3/PG 3
- hs_code
- 29051900
- RTECS-Nr.
- NT8060000
- risk_code
- 10-36-36/37/38-11-67
- hazard_code
- Xi,F
- safety_code
- 16-26-36/37/39-7/9
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Giftige Stoffe Daten
- 546-68-9(Hazardous Substances Data)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Uses
Used for heat-resistant surface coatings in paints, lacquers, and plastics; for hardening and cross-linking of epoxy, silicon, urea, melamine, and terephthalate resins and adhesives; and for adhesion of paints, rubber, and plastics to metals; Also used in catalysts, glass surface treatments, flue gas sorbents, controlled-release pesticides, and dental compositions (to bond to enamel); [HSDB] Used to make nano-sized titanium dioxide; [Merck Index]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
HEAT-RESISTANT SURFACE COATINGS IN PAINTS AND PLASTICS
Polymerization catalyst
Ester exchange reactions; adhesion of paints, rubber, and plastics to metals; condensation catalyst
Used for the hardening and cross-linking of epoxy, silicon, urea, melamine, and terephthalate resins; in the manufacture of noncorrodible, high temperature lacquers; in the sol-gel process; as water repellents and adhesive agents (especially with foils); to improve glass surfaces; as a catalyst in olefin polymerization, and for condensation and esterification.
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesCatalyst
Industry UsesPigment
Methods of ManufacturingReaction of titanium tetrachloride with isopropanol.
Household ProductsInformation on 1 consumer products that contain Tetraisopropyl titanate in the following categories is provided:
General Manufacturing Information
Petrochemical Manufacturing
2-Propanol, titanium(4+) salt (4:1): ACTIVE
IN FLUE GAS SORBENT
IN ADHESIVE, CONTROLLED-RELEASE PESTICIDE
... IN DENTAL COMPOSITIONS ... TO BOND TO ENAMEL.
Anwendungen
VerwendenCatalyst especially for asymmetric induction in organic syntheses; in preparation of nanosized TiO2. Complexing agent in sol-gel process.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: Titanium(IV) isopropoxide is a titanium coordination entity consisting of a titanium(IV) cation with four propan-2-olate anions as counterions.
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