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Titantetraisopropanolat
TITANIUM ISOPROPOXIDE · Ti(OiPr)4 · TITANIUM(IV) ISOPROPOXIDE · TITANIUM TETRAISOPROPOXIDE · TTIP · TETRAISOPROPYL TITANATE · tetraisopropoxytitanium · TETRAISOPROPYL ORTHOTITANATE
Identifikatoren & physikalische Daten
| CAS No. | 546-68-9 |
|---|---|
| Summenformel | C12H28O4Ti |
| Durchschnittliche Molmasse | 284,22 g/mol |
| Monoisotopische Masse | 284,14670568 g/mol |
| SMILES | CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4] |
| InChIKey | VXUYXOFXAQZZMF-UHFFFAOYSA-N |
| PubChem CID | 11026 |
| ChEBI | CHEBI:139496 |
| EC No. | 208-909-6 |
| DTXSID | DTXSID5027196 |
| Lokaler Name | Titantetraisopropanolat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 92,2 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 10,8 |
| Stoffklassen | Metals -> Metal Alkoxides |
| Dichte | 0.9711 @ 20 °C/4 °C0.9711 @ 20°C0.96 g/mL at 20 °C(lit.) |
| Viscosity | 2.11 centipoises @ 25 °C (apparent) |
| Color/Form | Light-yellow liquidColorless to light-yellowish fluid |
| Löslichkeit | Sol in anhydrous ethanol, ether, benzene, chloroformSoluble in anhydrous ethanol, ether, benzene and chloroform.HYDROLYSIS |
| Siedepunkt | 220 °C @ 760 mm Hg220 °C @760 [mm Hg]232 °C(lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke & irritating fumes. |
| Schmelzpunkt | Approx 20 °C14-17 °C(lit.) |
| Dampfdichte | 9.8 (AIR= 1) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Brechungsindex | Index of refraction: 1.46n20/D 1.464(lit.) |
| 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.CBImp = 18-20 deg C[Merck Index] Colorless to light yellow liquid[HSDB] Light yellow liquid[MSDSonline] |
| Dampfdruck | 60.2hPa at 25℃ |
| Flammpunkt | 72 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Liquid |
| Wichte | 0.955 |
| Farbe | Colorless to pale yellow |
| Merck | 14,9480 |
| BRN | 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 (Verteilungskoeffizient) | 0.05 |
| CAS Datenbank | 546-68-9(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Propanol, titanium(4+) salt (546-68-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.7% (23 of 1323) of reports.DangerH226 (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. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propanol, titanium(4+) salt2-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/14879Tetraisopropyl orthotitanate: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Brandpotenzial | MODERATE, WHEN EXPOSED TO HEAT OR FLAMECAN REACT WITH OXIDIZING MATERIALS |
| Gesundheitsgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Gefahrenübersicht | Flammable and moisture sensitive[Merck Index] Irritating to skin and eyesOral LD50 (rat) = 7460 mg/kg[Sax] A strong reducing agentRapidly decomposed by water producing isopropyl alcoholHighly flammableFumes in airMay cause skin and eye irritation[CAMEO] An eye irritant[eChemPortal: ERMA] An irritant[MSDSonline] See Titanium. See Isopropyl alcohol. |
Anwendungen & Verwendung
Verwenden
Catalyst especially for asymmetric induction in organic syntheses; in preparation of nanosized TiO2. Complexing agent in sol-gel process.