기본 정보
- 표준 SMILES
CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ti+4]- InChIKey
YHWCPXVTRSHPNY-UHFFFAOYSA-N- 분자식
- C16H36O4Ti
- 평균 분자량
- 340.32 g/mol
- 단동위원소 질량
- 340.20930593
개요
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.
이름 및 식별자
- 우선 이름
- Titanium tetrabutoxide
- IUPAC
- tetrakis(butan-1-olate);titanium(4+)
- 현지명
- 테트라-n-부톡시티탄
- 영어명
- Tetrabutyl titanate
- 분자식
- C16H36O4Ti
- 분자량
- 340.32
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5593-70-4、9022-96-2- PubChem CID
- 21801
- DTXSID
DTXSID6041262- UNII
- FJS8Q2MX9I
- EC Number
- 227-006-8
물성
구조 계산 물성
- 극성 표면적
- 92.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 13.1
실험 및 물리화학적 성질
Density
0.998 at 77 °F (USCG, 1999) - Less dense than water; will float
0.998 @ 25 °C (liquid)
0.998 @25 °C
Color/Form
COLORLESS TO LIGHT-YELLOW LIQUID
Pale yellow, viscous liquid
Solubility
Sol in most organic solvents except ketones
Sol in aliphatic aromatic, chlorinated, and oxygenated solvents
Flash Point
170 °F (USCG, 1999)
170 °F (CLOSED CUP)
Boiling Point
593 °F at 760 mmHg (USCG, 1999)
312 °C
292.4 °C @760 [mm Hg]
Melting Point
-67 °F (USCG, 1999)
-55 °C
-55 °C
물리화학적 성질
- 녹는점
- -55 °C · -55°C
- 끓는 점
- 206 °C/10 · 206 °C/10 mmHg (lit.)
- 밀도
- 1 g/mL · 1.00 g/mL at 20 °C (lit.)
- 증기압
- 5.6 hPa · 5.6 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.491(lit.)
- 인화점
- 55 °F · 55 °F
- 저장 조건
- 2 °C · Store at +2°C to +8°C.
- 용해도
- 지방족, 방향족, 염소화 및 산소화 용매와 혼합 가능합니다.
- 물리적 상태
- 액체
- Specific Gravity
- 0.998 · 0.998
- 색상
- 옅은 노랑
- 폭발한계
- 2 · 2.0-12.0%(V)
- 수용성
- 빠르게 가수분해됨
- BRN
- 4148236 · 4148236
- 안정성
- 안정적이지만 습기에 민감합니다. 가연성. 물, 습기, 강산화제, 강산과 혼합되지 않습니다.
- 화장품 원료 기능
- 필름 형성제
- 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℃
- NIST
- Tetrabutoxytitanium(5593-70-4)
- EPA
- Tetrabutyl titanate (5593-70-4)
화학적 성질
colourless to light yellow viscous liquid
안전 및 규제
GHS 분류
GHS Classification
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
유해성 정보
Regulatory Information
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
Hazards Summary
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]
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.
Hazard Classes and Categories
Flam. Liq. 3 (84.2%)
Flammable liquids - Category 4
안전 및 보호
Storage Conditions
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 ... .
Disposal Methods
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.
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 MASK; GOGGLES OR FACE SHIELD; RUBBER GLOVES.
독성 정보
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 DIARRHEA; IN SEVERE CASES, CENTRAL NERVOUS SYSTEM DEPRESSION MAY RESULT.
Non-Human Toxicity Values
LD50 Rat oral 3122 mg/kg
LD50 Mouse iv 180 mg/kg
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- XR1585000
- ridadr
- UN 1993 3/PG 3
- 독성
- LD50 orally in Rabbit: 3122 mg/kg
- HS 번호
- 29051900
- risk_code
- 10-36/37/38-67-41-37/38-45
- hazard_code
- Xi,T
- safety_code
- 16-26-39-24/25-53
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-03875
- F 고인화성물질
- 21
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 5593-70-4(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
Uses
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
General Manufacturing Information
Petrochemical Manufacturing
1-Butanol, titanium(4+) salt (4:1): ACTIVE
IN DENTAL OR MEDICAL BONDING COMPOSITIONS
IN ANHYDROUS HAIR SET COMPOSITION
응용 분야
용도Ester exchange reactions; heat-resistant paints (up to 500C); improving adhesion of paints, rubber, and plastics to metal surfaces; cross-linking agent; condensation catalyst.
일반 설명A 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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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