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티타늄(IV) 이소프로폭시드

Titanium isopropoxide

HCID 11026
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
546-68-9
표준 SMILES
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
InChIKey
VXUYXOFXAQZZMF-UHFFFAOYSA-N
분자식
C12H28O4Ti
평균 분자량
284.22 g/mol
단동위원소 질량
284.14670568

개요

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.

이름 및 식별자

우선 이름
Titanium isopropoxide
IUPAC
tetrakis(propan-2-olate);titanium(4+)
현지명
티타늄(IV) 이소프로폭시드
영어명
Titanium tetraisopropanolate
분자식
C12H28O4Ti
분자량
284.22

이름 및 동의어

546-68-9Titanium(IV) isopropoxideTitanium isopropoxideTitanium tetraisopropylateTETRAISOPROPYL TITANATETilcom TIPTTetraisopropoxytitaniumTitanium isopropylateTetraisopropoxytitanium(IV)TetraisopropanolatotitaniumIsopropyl orthotitanateIsopropyl titanate(IV)
이름 더 보기
이소프로필티타네이트티타늄이소프로필레이트타이타늄(IV)아아이소프로폭시드(티타늄(IV)아이소프로폭시드)타이타늄(IV)아이소프로폭시드(티타늄(IV)아이소프로폭시드)테트라이소프로폭시티탄테트라이소프로필티타네이트2-프로판올티탄(4+)염이소프로필티탄산염타이타늄(IV)아이소프로폭시드(티타늄(IV)아이소프로폭시드)(TITANIUM(IV)ISOPROPOXIDE)2-프로판올 티탄(4+) 염아이소프로필 알코올, 티탄(4+)염아이소프로필 오르토티탄산염아이소프로필 티탄산염타이타늄(IV) 아이소프로폭시드(티타늄(IV) 아이소프로폭시드)테트라아이소프로폴시티탄테트라아이소프로필 오르토티탄산염테트라아이소프로필 티탄산염테트라키스(아이소프로폭시)티탄테트라키스(아이소프로필옥시)티탄티타늄 아이소프로프산화물Ti(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

데이터베이스 식별자

CAS
546-68-9
PubChem CID
11026
DTXSID
DTXSID5027196
ChEBI
CHEBI:139496
UNII
76NX7K235Y
EC Number
208-909-6、651-908-4

물성

구조 계산 물성

극성 표면적
92.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
17
형식 전하
0
복잡도
10.8

실험 및 물리화학적 성질

Chemical ClassesMetals -> Metal Alkoxides
Density · 2건

0.9711 @ 20 °C/4 °C

0.9711 @ 20°C

Viscosity2.11 centipoises @ 25 °C (apparent)
Color/Form · 2건

Light-yellow liquid

Colorless to light-yellowish fluid

SolubilitySol in anhydrous ethanol, ether, benzene, chloroform
Boiling Point · 2건

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

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 4건

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 · 1건

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.

화학 및 산업

용도 및 제조

Uses · 6건

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 · 5건

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.

응용 분야 · 4건

관련 반응

2,365건
반응 기록 만들기
HRID 10551 반응식
HRID 10551촉매로uspto-grants-2006_08
HRID 10553 반응식
HRID 10553촉매로uspto-grants-2006_08
HRID 16796 반응식
HRID 16796촉매로uspto-grants-2010_06
HRID 17220 반응식
HRID 17220촉매로uspto-grants-2010_06
HRID 21555 반응식
HRID 21555촉매로uspto-grants-1995_06
HRID 22261 반응식
HRID 22261촉매로uspto-grants-1995_06
HRID 22263 반응식
HRID 22263촉매로uspto-grants-1995_06
HRID 22441 반응식
HRID 22441촉매로uspto-grants-1995_06
1 / 296 페이지

화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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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]

물리화학적 성질

녹는점
14 · 14-17 °C(lit.)
끓는 점
232 °C · 232 °C(lit.)
밀도
0.96 g/mL · 0.96 g/mL at 20 °C(lit.)
증기압
60.2 hPa · 60.2hPa at 25℃
굴절률
20 · n20/D 1.464(lit.)
인화점
72 °F · 72 °F
저장 조건
Flammables area
용해도
무수 에탄올, 에테르, 벤젠 및 클로로포름에 용해됩니다.
물리적 상태
액체
Specific Gravity
0.955 · 0.955
색상
무색~담황색
수용성
가수 분해
Merck
14 · 14,9480
BRN
3679474 · 3679474
안정성
안정적이지만 습기가 있으면 분해됩니다. 수용액, 강산, 강산화제와 호환되지 않습니다. 가연성.
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
EPA
2 · 2-Propanol, titanium(4+) salt (546-68-9)

화학적 성질

colourless to light yellow liquid

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 · 2건

Flam. Liq. 3 (79.8%)

Flammable liquids - Category 3

안전 및 보호

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Fire Fighting Procedures · 1건

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 · 1건

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 · 2건

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) · 3건

5.2 [mg/m3]

57 [mg/m3]

340 [mg/m3]

Personal Protective Equipment (PPE) · 2건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Personnel protection: ... Wear appropriate chemical protective gloves, boots and goggles.

독성 정보

Non-Human Toxicity ValuesLD50 Rat oral 7460 mg/kg

규제 정보

FDA RequirementsTetra-isopropyl titanate is an indirect food additive for use only as a component of adhesives.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
NT8060000
ridadr
UN 2413 3/PG 3
HS 번호
29051900
risk_code
10-36-36/37/38-11-67
hazard_code
Xi,F
safety_code
16-26-36/37/39-7/9
포장분류
III
위험 등급
3
기존화학 물질
KE-29366
F 고인화성물질
21
Hazard Classifications
Eye Irrit. 2Flam. Liq. 3STOT SE 3
스토리지 클래스
3 - Flammable liquids
유해 물질 데이터
546-68-9(Hazardous Substances Data)

개요명확한 무색 밝은 노란색 액체.

용도제품은 사용할 수 있습니다 생산 접착제 금속 및 고무, 금속 및 플라스틱, 티타늄 커플러 또는 생산에 사용됩니다.

용도Catalyst especially for asymmetric induction in organic syntheses; in preparation of nanosized TiO2. Complexing agent in sol-gel process.

일반 설명Tetraisopropyl 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.

상·하류 제품 정보

상류 원료

(S)-tert-Butyl 6-amino-2-((tert-butoxycarbonyl)amino)hexanoate hydrochloride톨루엔염화티탄(Ⅳ)이소프로필알코올2-아닐리노아세토페논Methyltitanium triisopropoxideChlorotitanium triisopropoxideSodium propan-2-olate티타늄

하류 제품

3-Phenoxybenzaldehyde cyanohydrin2,3-Dihydroxypropyl methacrylate6-Fluoro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile6-Fluoro-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acidTi(BINOL)complex(+)-DISPARLURETetraisopropyl orthosilicate글리신,N-[(1,1-디메틸에톡시)카르보닐]-,1-메틸에틸에스테르(9CI)N,N,N',N'-테트라키스(2-에톡시)에틸디아민티타늄(IV)

추가 설명

정의ChEBI: Titanium(IV) isopropoxide is a titanium coordination entity consisting of a titanium(IV) cation with four propan-2-olate anions as counterions.