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Titantetrabutanolat
TITANIUM BUTOXIDE · TNBT · TETRA-N-BUTYL TITANATE · tetrabutoxytitanium · TETRABUTYL ORTHOTITANATE · BUTYL TITANATE · TITANIUM TETRABUTOXIDE · TITANIUM(IV) BUTOXIDE
Identifikatoren & physikalische Daten
| CAS No. | 5593-70-4 |
|---|---|
| Summenformel | C16H36O4Ti |
| Durchschnittliche Molmasse | 340,32 g/mol |
| Monoisotopische Masse | 340,20930593 g/mol |
| SMILES | CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ti+4] |
| InChIKey | YHWCPXVTRSHPNY-UHFFFAOYSA-N |
| PubChem CID | 21801 |
| EC No. | 227-006-8 |
| DTXSID | DTXSID6041262 |
| Lokaler Name | Titantetrabutanolat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 92,2 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 13,1 |
| Stoffklassen | Metals -> Metal Alkoxides |
| Geruch | WEAK, ALCOHOL-LIKE ODOR |
| Dichte | 0.998 at 77 °F (USCG, 1999) - Less dense than waterwill float0.998 @ 25 °C (liquid)0.998 @25 °C1.00 g/mL at 20 °C (lit.) |
| Color/Form | COLORLESS TO LIGHT-YELLOW LIQUIDPale yellow, viscous liquid |
| Löslichkeit | Sol in most organic solvents except ketonesSol in aliphatic aromatic, chlorinated, and oxygenated solventsMiscible with aliphatic, aromatic, chlorinated and oxygenated solvents.RAPIDLY HYDROLIZED |
| Flammpunkt | 170 °F (USCG, 1999)170 °F (CLOSED CUP)55 °F |
| Siedepunkt | 593 °F at 760 mmHg (USCG, 1999)312 °C292.4 °C @760 [mm Hg]206 °C/10 mmHg (lit.) |
| Decomposition | When heated to decomposition it emits acrid & irritating fumes. |
| Schmelzpunkt | -67 °F (USCG, 1999)-55 °C-55°C |
| Dampfdichte | 11.7 (Air= 1) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Brechungsindex | Index of refraction: 1.486n20/D 1.491(lit.) |
| Dampfdruck | 5.6 hPa (20 °C) |
| Lagerbedingungen | Store at +2°C to +8°C. |
| Aggregatzustand | Liquid |
| Wichte | 0.998 |
| Farbe | Pale yellow |
| Explosionsgrenze | 2.0-12.0%(V) |
| BRN | 4148236 |
| Stabilität | Stable, but moisture sensitive. Flammable. Incompatible with water, moisture, strong oxidizing agents, strong acids. |
| Kosmetik-Inhaltsstoffe Funktionen | FILM FORMING |
| InChI | 1S/4C4H9O.Ti/c4*1-2-3-4-5/h4*2-4H2,1H3/q4*-1+4 |
| InChIKey | YHWCPXVTRSHPNY-UHFFFAOYSA-N |
| SMILES | CCCCO[Ti](OCCCC)(OCCCC)OCCCC |
| LogP (Verteilungskoeffizient) | 0.84 at 25℃ |
| CAS Datenbank | 5593-70-4(CAS DataBase Reference) |
| NIST chemische Informationen | Tetrabutoxytitanium(5593-70-4) |
| EPA chemische Informationen | Tetrabutyl titanate (5593-70-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.5% (102 of 1561) of reports.DangerH226 (84.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1561 reports by companies from 46 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Butanol, titanium(4+) salt1-Butanol, titanium(4+) salt (4:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 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: 27-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/142601-Butanol, titanium (IV) salt: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Corrosive Flammable Liquid |
| Brandgefahren | Combustible. Containers may explode in fire. May give off dense white smoke. Containers may explode. (USCG, 1999) |
| Brandpotenzial | FLAMMABLE WHEN EXPOSED TO HEAT OR FLAME. |
| Gesundheitsgefahren | LIQUID: Irritating to skin and eyes. If swallowed will cause nausea and vomiting. (USCG, 1999) |
| Gefahrenübersicht | Decomposed by water producing butanol and titanium dioxideA skin, eye, and respiratory tract irritantMay cause corneal damage[HSDB] Reacts with water forming butanol and titanium dioxideA skin and eye irritant[CAMEO] A skin irritantCorrosive to eyes[eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] |
| Reaktive Gruppe | Bases, Strong |
| Reactivity Profile | Organometallics are strongly reactive with many other groups. Incompatible with acids and bases. Organometallics are good reducing agents and therefore incompatible with oxidizing agents. Often reactive with water to generate toxic or flammable gases. Generally highly toxic. Often react on contact with tissues to give toxic products. |
| Flammable Limits | 2%-12% |
| Air and Water Reactions | Soluble in water. Reacts with water to form butanol and titanium dioxide, the reaction is not generally thought to be hazardous. |
| Hazard Classes and Categories | Flam. Liq. 3 (84.2%)Flammable liquids - Category 4 |
| Lower Explosive Limit (LEL) | 2 % (USCG, 1999) |
| Brandbekämpfung | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Erste Hilfe | INHALATION: move from contaminated atmosphereif symptoms of respiratory discomfort persist, see a physician. |
| Firefighting Hazards | MAY GIVE OFF DENSE WHITE SMOKE. |
| Brandbekämpfungsverfahren | EXTINGUISH WITH DRY CHEM OR CARBON DIOXIDE. DO NOT USE WATER ON FIRE. COOL EXPOSED CONTAINERS WITH WATER. |
| Lagerbedingungen | IN GENERAL, MATERIALS ... TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS ... SHOULD BE STORED IN COOL ... VENTILATED PLACE, OUT OF ... SUN, AWAY FROM ... FIRE HAZARD ... BE PERIODICALLY INSPECTED & MONITORED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED ... . |
| Freisetung ohne Brand | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Entsorgungsverfahren | 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. |
| Isolation and Evacuation | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Protective Action Criteria (PAC) | 9.4 [mg/m3]100 [mg/m3]620 [mg/m3] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:SELF-CONTAINED BREATHING APPARATUS OR ORGANIC CANISTER MASKGOGGLES OR FACE SHIELDRUBBER GLOVES. |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Human Toxicity Excerpts | INHALATION CAUSES NONSPECIFIC IRRITATION OF THE UPPER RESP TRACT. CONTACT WITH LIQUID MAY CAUSE CORNEAL DAMAGE IN EYES AND LOCAL IRRITATION OF SKIN. INGESTION CAUSES NONSPECIFIC IRRITATION OF GI TRACT, NAUSEA, VOMITING, CRAMPS, AND DIARRHEAIN SEVERE CASES, CENTRAL NERVOUS SYSTEM DEPRESSION MAY RESULT. |
| Non-Human Toxicity Values | LD50 Rat oral 3122 mg/kgLD50 Mouse iv 180 mg/kg |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29051900 |
| RTECS-Nr. | XR1585000 |
| R-Sätze (R) | 10-36/37/38-67-41-37/38-45 |
| Toxizität | LD50 orally in Rabbit: 3122 mg/kg |
| Gefahrensymbole | Xi,T |
| Sicherheitshinweise (S) | 16-26-39-24/25-53 |
| Gefahrenklasse | 8Eye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 5593-70-4(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Ester exchange reactions; heat-resistant paints (up to 500C); improving adhesion of paints, rubber, and plastics to metal surfaces; cross-linking agent; condensation catalyst.