기본 정보
- CAS
3087-39-6- 표준 SMILES
CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Ti+4]- InChIKey
GRWPYGBKJYICOO-UHFFFAOYSA-N- 분자식
- C16H36O4Ti
- 평균 분자량
- 340.32 g/mol
- 단동위원소 질량
- 340.2093003
이름 및 식별자
- 우선 이름
- Titanum tetra t-butoxide
- IUPAC
- tetrakis(2-methylpropan-2-olate);titanium(4+)
- 현지명
- 티타늄(4+) 2-메틸프로판-2-올산
- 영어명
- Tetra-tert-butyl orthotitanate
- 분자식
- C16H36O4Ti
- 분자량
- 340.32
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
3087-39-6- PubChem CID
- 6451515
- DTXSID
DTXSID70890571- UNII
- PX6YR1S99S
- EC Number
- 221-412-9
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
- 21
- 형식 전하
- 0
- 복잡도
- 25
실험 및 물리화학적 성질
Physical Description
CBI
Colorless liquid with a sweet odor; [Strem Chemicals MSDS]
물리화학적 성질
- 끓는 점
- 70 °C · 70 °C (2 mmHg)
- 밀도
- 0.881 g/mL · 0.881 g/mL at 25 °C(lit.)
- 증기압
- 43 hPa · 43 hPa ( 136 °C)
- 굴절률
- 20 · n20/D 1.438
- 인화점
- 47 °C · 47°C
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- 액체
- Specific Gravity
- 0.89 · 0.89
- 색상
- 무색의
- BRN
- 3681801 · 3681801
- InChI
- InChI=1S/4C4H9O.Ti/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;+4
- InChIKey
- GRWPYGBKJYICOO-UHFFFAOYSA-N
- SMILES
- [Ti](OC(C)(C)C)(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
- LogP
- 2.84 at · 2.84 at 25℃
- EPA
- 2 · 2-Propanol, 2-methyl-, titanium(4+) salt (4:1) (3087-39-6)
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H315 (90.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (60.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, 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 84 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
2-Propanol, 2-methyl-, titanium(4+) salt (4:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 2-methyl-, 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 12-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26708
Titanium(4+) 2-methylpropan-2-olate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Reacts with water forming titanium dioxide and t-butanol; An irritant; Inhalation may cause headache, dizziness, and drowsiness; [Strem Chemicals MSDS] See Titanium dioxide and tert-Butyl alcohol. See Potassium tert-butoxide and Zirconium(IV) butoxide.
규제 정보
Regulatory Information
2-Propanol, 2-methyl-, titanium(4+) salt (4:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 2-methyl-, 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 12-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26708
Titanium(4+) 2-methylpropan-2-olate: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29319090
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 16-26-36
- 기존화학 물질
- 98-3-1001
- F 고인화성물질
- 10-21
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
Petrochemical Manufacturing
2-Propanol, 2-methyl-, titanium(4+) salt (4:1): ACTIVE
응용 분야
용도tert-Butoxytitanium (IV) is used in the preparation of moisture-curable modified polysiloxane and silicone rubber.
상·하류 제품 정보
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