Titanium tetrabutoxide (HCID 21801)

概要

Tetrabutyl titanate appears as 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.

名称と識別子

優先名称: Titanium tetrabutoxide
IUPAC: tetrakis(butan-1-olate);titanium(4+)
現地名: オルトチタン酸テトラブチル
英語名: Tetrabutyl titanate
分子式: C16H36O4Ti
分子量: 340.32

名称と別名

5593-70-4Titanium tetrabutoxideButyl titanateTETRABUTYL TITANATETitanium ButoxideTetrabutyltitanateTitanium butylateTetrabutyl orthotitanateOrgatics TA 25B 1 (titanate)Butyl titanate(IV)Butyl titanate monomer

名称をさらに表示

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)テトラキス(ブチルオキシ)チタン(IV)テトラ N-ブトキシチタンブチルチタネートチタンn-ブトキシドチタンテトラブトキシドブチルチタネトチタン酸テトラ-n-ブチルモノマーテトラ-n-ブチルチタネート,モノマー(チタン酸テトラ-n-ブチルモノマー)チタン酸ブチルテトラブトキシチタンテトラ‐ノルマル‐ブトキシチタンチタニウムN‐ブトキシドTNBTTETRA-N-BUTYL TITANATEtetrabutoxytitaniumTITANIUM(IV) BUTOXIDETITANIUM(IV) N-BUTOXIDETitanium tetrabutanolate

Tyzor BPButyl orthotitanateTyzor TBTTetrabutoxy titaniumTitanium tetrabutylateTitanium, tetrabutoxy-Titanium(4+) butoxideTitanium tetrakis(butoxide)

データベース識別子

CAS: 5593-70-4、9022-96-2
PubChem CID: 21801
DTXSID: DTXSID6041262
UNII: FJS8Q2MX9I
EC Number: 227-006-8

物性

構造計算による物性

極性表面積: 92.2 Å²
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

実験および物理化学的性質

Chemical ClassesMetals -> Metal Alkoxides

OdorWEAK, ALCOHOL-LIKE ODOR

Density · 3 件

0.998 at 77 °F (USCG, 1999) - Less dense than water; will float

0.998 @ 25 °C (liquid)

0.998 @25 °C

Color/Form · 2 件

COLORLESS TO LIGHT-YELLOW LIQUID

Pale yellow, viscous liquid

Solubility · 2 件

Sol in most organic solvents except ketones

Sol in aliphatic aromatic, chlorinated, and oxygenated solvents

Flash Point · 2 件

170 °F (USCG, 1999)

170 °F (CLOSED CUP)

物理化学的性質

融点: -55 °C · -55°C
沸点: 206 °C/10 · 206 °C/10 mmHg (lit.)
比重(密度): 1 g/mL · 1.00 g/mL at 20 °C (lit.)
蒸気圧: 5.6 hPa · 5.6 hPa (20 °C)
屈折率: 20 · n20/D 1.491(lit.)
闪点: 55 °F · 55 °F
貯蔵温度: 2 °C · Store at +2°C to +8°C.
溶解性: 脂肪族、芳香族、塩素化および酸素化溶媒と混和します。
外見: 液体
比重: 0.998 · 0.998
色: ペールイエロー
爆発限界(explosive limit): 2 · 2.0-12.0%(V)
水溶解度: 急速に加水分解
BRN: 4148236 · 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: 0.84 at · 0.84 at 25℃
CAS データベース: 5593 · 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)

化学的性質

化学的特性colourless to light yellow viscous liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 6.5% (102 of 1561) of reports.

Danger

H226 (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.

Warning

危険有害性情報

Regulatory Information · 4 件

Chemical: 1-Butanol, titanium(4+) salt

1-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/14260

1-Butanol, titanium (IV) salt: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive Flammable Liquid

Fire HazardsCombustible. Containers may explode in fire. May give off dense white smoke. Containers may explode. (USCG, 1999)

Fire PotentialFLAMMABLE WHEN EXPOSED TO HEAT OR FLAME.

Health HazardsLIQUID: Irritating to skin and eyes. If swallowed will cause nausea and vomiting. (USCG, 1999)

Hazards Summary · 1 件

Decomposed by water producing butanol and titanium dioxide; A skin, eye, and respiratory tract irritant; May cause corneal damage; [HSDB] Reacts with water forming butanol and titanium dioxide; A skin and eye irritant; [CAMEO] A skin irritant; Corrosive to eyes; [eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]

安全と保護具

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

First AidINHALATION: move from contaminated atmosphere; if symptoms of respiratory discomfort persist, see a physician.

Firefighting HazardsMAY GIVE OFF DENSE WHITE SMOKE.

Fire Fighting ProceduresEXTINGUISH WITH DRY CHEM OR CARBON DIOXIDE. DO NOT USE WATER ON FIRE. COOL EXPOSED CONTAINERS WITH WATER.

Storage Conditions · 1 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 ... .

Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

Human Toxicity Excerpts · 1 件

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 DIARRHEA; IN SEVERE CASES, CENTRAL NERVOUS SYSTEM DEPRESSION MAY RESULT.

Non-Human Toxicity Values · 2 件

LD50 Rat oral 3122 mg/kg

LD50 Mouse iv 180 mg/kg

安全データ

F: 21
wgk: 1
tsca: TSCA listed
rtecs: XR1585000
ridadr: UN 1993 3/PG 3
毒性: LD50 orally in Rabbit: 3122 mg/kg
hs_code: 29051900
risk_code: 10-36/37/38-67-41-37/38-45
化審法: (2)-228, (2)-2150
消防法: 危-4-2-III
hazard_code: Xi,T
safety_code: 16-26-39-24/25-53
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids
有毒物質データの: 5593-70-4(Hazardous Substances Data)

化学と産業

薬理情報

BionecessityThere is no evidence that titanium is an essential element for either man or animals. /Titanium/

用途と製造

Uses · 4 件

Used in ester exchange reactions, heat-resistant paints, medical/dental bonding compositions, and anhydrous hair set compositions; Also used as an adhesion promoter (paints, rubber, and plastics-metal), curing agent (alkyl, epoxy, and silicon resins), catalyst, and glass coating; [HSDB]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

Ester exchange reactions; heat-resistant paints (up to 500 °C); improving adhesion of paints, rubber, and plastics to metal surfaces; cross linking agent; condensation catalyst

Esterification/alcoholysis catalysts; alkyl/epoxy/silicon resin crosslinking agent; Ziegler catalyst component; high temperature coatings ingredient; glass surface treatment agent

U.S. Production2023: 1,000,000 - <5,000,000 lb

Consumer UsesCatalyst

Industry UsesCatalyst

Methods of ManufacturingReaction of titanium tetrachloride with butanol.

Formulations/PreparationsGrades of Purity: Technical

応用分野 · 3 件

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.

調製方法 · 1 件

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.]