Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
테트라-n-부톡시티탄
n-부틸티타네이트,테트라-n-부틸티타네이트 · 테트라-n-부톡시티탄 · 테트라뷰틸타이타늄산 · 테트라뷰틸타이타늄산(테트라뷰틸티탄산) · 1-뷰탄올, 타이타늄(4+) 염 · 1-뷰탄올, 타이타늄(4+) 염 (4:1) · 오쏘타이타늄산 뷰틸 · 타이타늄 테트라뷰탄올레이트
식별자 및 물리적 특성
| CAS No. | 5593-70-4 |
|---|---|
| 분자식 | C16H36O4Ti |
| 평균 분자량 | 340.32 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 테트라-n-부톡시티탄 |
화학 및 물리적 성질
| 극성 표면적 | 92.2 |
|---|---|
| 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 |
| 물질 분류 | Metals -> Metal Alkoxides |
| 냄새 | WEAK, ALCOHOL-LIKE ODOR |
| 밀도 | 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 |
| 용해도 | Sol in most organic solvents except ketonesSol in aliphatic aromatic, chlorinated, and oxygenated solvents지방족, 방향족, 염소화 및 산소화 용매와 혼합 가능합니다. |
| 인화점 | 170 °F (USCG, 1999)170 °F (CLOSED CUP)55 °F |
| 끓는 점 | 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. |
| 녹는점 | -67 °F (USCG, 1999)-55 °C-55°C |
| 증기 밀도 | 11.7 (Air= 1) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| 굴절률 | Index of refraction: 1.486n20/D 1.491(lit.) |
| 증기압 | 5.6 hPa (20 °C) |
| 저장 조건 | Store at +2°C to +8°C. |
| 물리적 상태 | 액체 |
| 비중 | 0.998 |
| 색상 | 옅은 노랑 |
| 폭발한계 | 2.0-12.0%(V) |
| 용해도 | 빠르게 가수분해됨 |
| BRN | 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(분배 계수) | 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 | 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. |
|---|---|
| 규제 정보 | 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 |
| 운송 라벨(DOT) | Corrosive Flammable Liquid |
| 화재 위험 | Combustible. Containers may explode in fire. May give off dense white smoke. Containers may explode. (USCG, 1999) |
| 화재 가능성 | FLAMMABLE WHEN EXPOSED TO HEAT OR FLAME. |
| 건강 유해성 | LIQUID: Irritating to skin and eyes. If swallowed will cause nausea and vomiting. (USCG, 1999) |
| 유해성 요약 | 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] |
| 반응성 그룹 | 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) |
| 소화 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| 응급 처치 | INHALATION: move from contaminated atmosphereif symptoms of respiratory discomfort persist, see a physician. |
| Firefighting Hazards | MAY GIVE OFF DENSE WHITE SMOKE. |
| 소화 절차 | EXTINGUISH WITH DRY CHEM OR CARBON DIOXIDE. DO NOT USE WATER ON FIRE. COOL EXPOSED CONTAINERS WITH WATER. |
| 보관 조건 | 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 ... . |
| 비화재 누출 대응 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| 처리 방법 | 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. |
| 유해 작용 | 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 |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | XR1585000 |
| 운송 번호(UN) | UN 1993 3/PG 3 |
| 독성 | LD50 orally in Rabbit: 3122 mg/kg |
| 관세 코드 | 29051900 |
| 위험 문구(R) | 10-36/37/38-67-41-37/38-45 |
| 위험 표시 | Xi,T |
| 안전 문구(S) | 16-26-39-24/25-53 |
| 포장분류 | III |
| 위험 등급 | 8Eye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 기존화학 물질 | KE-03875 |
| F 고인화성물질 | 21 |
| 저장 분류 | 3 - Flammable liquids |
| 유해 물질 데이터 | 5593-70-4(Hazardous Substances Data) |
용도
용도
Ester exchange reactions; heat-resistant paints (up to 500C); improving adhesion of paints, rubber, and plastics to metal surfaces; cross-linking agent; condensation catalyst.
일반 설명
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.