CAS 3087-39-6 Titanum tetra t-butoxide (HCID 6451515)

基本情報

CAS: 3087-39-6
標準SMILES: CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Ti+4]
InChIKey: GRWPYGBKJYICOO-UHFFFAOYSA-N
分子式: C16H36O4Ti
平均分子量: 340.32 g/mol
単同位体質量: 340.2093003

名称と識別子

優先名称: Titanum tetra t-butoxide
IUPAC: tetrakis(2-methylpropan-2-olate);titanium(4+)
現地名: テトラ(tert-ブトキシ)チタン(IV)
英語名: Tetra-tert-butyl orthotitanate
分子式: C16H36O4Ti
分子量: 340.32

名称と別名

Titanum tetra t-butoxide3087-39-6Titanium(IV) tert-butoxidePX6YR1S99SEINECS 221-412-9UNII-PX6YR1S99STERT-BUTYL ORTHOTITANATEDTXSID708905712-Propanol, 2-methyl-, titanium(4+) salt (4:1)T-BUTANOL TITANIUM(4+) SALTTitanium(4+) 2-methylpropan-2-olateTITANIUM TETRAKIS(TERT-BUTANOLATE)

名称をさらに表示

チタン酸テトラ(tert-ブチル)チタン酸テトラ-tert-ブチルテトラ(tert-ブトキシ)チタン(IV)テトラ-tert-ブトキシチタンチタン(IV)テトラ(2-メチル-2-プロパノラート)チタン(IV)テトラ-tert-ブトキシドテトラキス(tert-ブチルオキシ)チタン(IV)チタン(IV)テトラキス(tert-ブトキシド)テトラ-tert-ブトキシチタン(IV)チタン(IV)テトラ(1,1-ジメチルエタノラート)チタニウム(IV)TERT-ブトキシドチタニウム(IV)TERT‐ブトキシドチタン(IV)T-ブトキシドチタン(IV)TERT-ブトキシドテトラキス(tert-ブトキシ)チタンテトラ(tert-ブチルオキシ)チタン(IV)Titanium(Ⅳ) tert-butoxideTITANIUM T-BUTOXIDEtitanium sec-butoxideTITANIUM TERT-BUTOXIDETitanium(Ⅳ) T-butoxide

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: 0
重原子数: 21
形式電荷: 0
複雑度: 25

実験および物理化学的性質

Physical Description · 2 件

CBI

Colorless liquid with a sweet odor; [Strem Chemicals MSDS]

物理化学的性質

沸点: 70 °C · 70 °C (2 mmHg)
比重(密度): 0.881 g/mL · 0.881 g/mL at 25 °C(lit.)
蒸気圧: 43 hPa · 43 hPa ( 136 °C)
屈折率: 20 · n20/D 1.438
闪点: 47 °C · 47°C
貯蔵温度: 30 °C · Store below +30°C.
外見: 液体
比重: 0.89 · 0.89
色: 無色透明
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の化学物質情報: 2 · 2-Propanol, 2-methyl-, titanium(4+) salt (4:1) (3087-39-6)

化学的性質

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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 · 1 件

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.

化学と産業

用途と製造

U.S. Production2023: <50,000 lb；2022: <50,000 lb；2021: <50,000 lb；2020: <50,000 lb

Consumer UsesCatalyst

Industry UsesCatalyst

Household ProductsInformation on 1 consumer products that contain Titanium(4+) 2-methylpropan-2-olate in the following categories is provided:；• Home Maintenance

General Manufacturing Information · 2 件

Petrochemical Manufacturing

2-Propanol, 2-methyl-, titanium(4+) salt (4:1): ACTIVE