化工社化工社 化学情報印刷レポート · 研究参考用
オルトチタン酸テトラブチル
オルトチタン酸テトラブチル · チタン(IV)テトラブトキシド · チタンテトラブトキシド · チタン酸テトラブチル · テトラブトキシチタン(IV) · チタニウムテトラブトキシド · テトラキス(ブトキシ)チタン(IV) · チタン(IV)テトラ(1-ブタノラート)
識別子と物理属性
| CAS No. | 5593-70-4 |
|---|---|
| 分子式 | C16H36O4Ti |
| 平均分子量 | 340.32 g/mol |
| 単同位体質量 | 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 |
| 現地名 | オルトチタン酸テトラブチル |
化学・物理的性質
| 極性表面積 | 92.2 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 8 |
| 重原子数 | 21 |
| 形式電荷 | 0 |
| 複雑度 | 13.1 |
| 物質分類 | Metals -> Metal Alkoxides |
| 臭い | WEAK, ALCOHOL-LIKE ODOR |
| 密度 | 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 |
| 溶解度 | Sol in most organic solvents except ketonesSol in aliphatic aromatic, chlorinated, and oxygenated solvents脂肪族、芳香族、塩素化および酸素化溶媒と混和します。急速に加水分解 |
| 引火点 | 170 °F (USCG, 1999)170 °F (CLOSED CUP)55 °F |
| 沸点 | 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. |
| 融点 | -67 °F (USCG, 1999)-55 °C-55°C |
| 蒸気密度 | 11.7 (Air= 1) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| 屈折率 | Index of refraction: 1.486n20/D 1.491(lit.) |
| 蒸気圧 | 5.6 hPa (20 °C) |
| 貯蔵条件 | Store at +2°C to +8°C. |
| 外観・状態 | 液体 |
| 比重 | 0.998 |
| 色 | ペールイエロー |
| 爆発限界 | 2.0-12.0%(V) |
| BRN | 4148236 |
| 安定性 | 安定していますが、湿気に弱いです。可燃性。水、湿気、強力な酸化剤、強酸とは相容れない。 |
| 化粧品成分の機能 | フィルム形成 |
| 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（分配係数） | 0.84 at 25℃ |
| CAS データベース | 5593-70-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Tetrabutoxytitanium(5593-70-4) |
| EPAの化学物質情報 | Tetrabutyl titanate (5593-70-4) |
化学的特性
colourless to light yellow viscous liquid
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 規制情報 | 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 |
| 輸送ラベル（DOT） | Corrosive Flammable Liquid |
| 火災危険 | Combustible. Containers may explode in fire. May give off dense white smoke. Containers may explode. (USCG, 1999) |
| 火災の可能性 | FLAMMABLE WHEN EXPOSED TO HEAT OR FLAME. |
| 健康有害性 | LIQUID: Irritating to skin and eyes. If swallowed will cause nausea and vomiting. (USCG, 1999) |
| 有害性の概要 | 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] |
| 反応性グループ | 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) |
| 消火 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| 応急処置 | INHALATION: move from contaminated atmosphereif symptoms of respiratory discomfort persist, see a physician. |
| Firefighting Hazards | MAY GIVE OFF DENSE WHITE SMOKE. |
| 消火手順 | EXTINGUISH WITH DRY CHEM OR CARBON DIOXIDE. DO NOT USE WATER ON FIRE. COOL EXPOSED CONTAINERS WITH WATER. |
| 保管条件 | 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 ... . |
| 非火災時の漏出対応 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| 処分方法 | 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. |
| 有害作用 | 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 |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | XR1585000 |
| 輸送番号（UN） | UN 1993 3/PG 3 |
| 毒性 | LD50 orally in Rabbit: 3122 mg/kg |
| 税関コード | 29051900 |
| 危険文句（R） | 10-36/37/38-67-41-37/38-45 |
| 化審法 | (2)-228, (2)-2150 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xi,T |
| 安全措置（S） | 16-26-39-24/25-53 |
| 危険等級 | 8Eye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 3 - Flammable liquids |
| 有害物質データ | 5593-70-4(Hazardous Substances Data) |
用途
用途
エステル交換反応、耐熱塗料(最大500℃);金属表面に塗料、ゴム、プラスチックの密着性を向上させる; 架橋剤; 縮合触媒
使用
Ester exchange reactions; heat-resistant paints (up to 500C); improving adhesion of paints, rubber, and plastics to metal surfaces; cross-linking agent; condensation catalyst.
一般的な説明
A water-white to pale-yellow liquid with an alcohol-like odor. About the same density as water. Flash point 170°F. Contact may irritate or cause burns.
製法・合成法
純化方法
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.]