3087-39-6

• 常用中文名：叔丁醇钛(IV)
• 常用英文名：Tetra-tert-butyl orthotitanate
• CAS号：3087-39-6
• 分子式：C₁₆H₃₆O₄Ti
• 分子量：340.32200
• 相关类别： 有机原料 有机金属类化合物 有机钛
• 发布时间：2018-06-23 15:04:41
• 更新时间：2024-01-08 18:00:35
• 下载msds

名称

• 中文名: 四叔丁基钛酸酯
• 英文名: Tetra-tert-butyl orthotitanate
• 中文别名: 叔丁醇钛
• 英文别名: EINECS 221-412-9; tetra-sec-butoxotitanium; sec-butyl orthotitanate; Titanium(IV) tert-butoxide; titanium tetra-s-butoxide; titanium sec-butoxide; titanium tetra-tert-butoxide; Orthotitansaeure-tetra-tert-butylester; orthotitanic acid tetra-tert-butyl ester; MFCD00040554

物化性质

• 密度: 0.881 g/mL at 25 °C(lit.)
• 沸点: 70ºC (2 mmHg) ,84.6ºC at 760 mmHg
• 分子式: C₁₆H₃₆O₄Ti
• 分子量: 340.32200
• 闪点: 11.7ºC
• 精确质量: 340.20900
• PSA: 36.92000
• LogP: 5.06320
• 外观性状: Liquid | Clear colorless
• 折射率: n20/D 1.438
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、摩尔折射率：无可用

  2、 摩尔体积（cm³/mol）：无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：无可用

  2、 氢键供体数量：0

  3、 氢键受体数量：4

  4、 可旋转化学键数量：0

  5、 拓扑分子极性表面积（TPSA）：92.2

  6、 重原子数量：21

  7、 表面电荷：0

  8、 复杂度：25.1

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：5

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：0.881

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：70

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.438

  8. 闪点（ºC）：47

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: Titanium(IV) tert-butoxide CAS-No.: 3087-39-6 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Flammable liquids (Category 3) Skin irritation (Category 2) Eye irritation (Category 2) Specific target organ toxicity - single exposure (Category 3) Classification according to EU Directives 67/548/EEC or 1999/45/EC Flammable. Irritating to eyes, respiratory system and skin. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordWarning Hazard statement(s) H226Flammable liquid and vapour. H315Causes skin irritation. H319Causes serious eye irritation. H335May cause respiratory irritation. Precautionary statement(s) P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R10Flammable. R36/37/38Irritating to eyes, respiratory system and skin. S-phrase(s) S16Keep away from sources of ignition - No smoking. S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36Wear suitable protective clothing. Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Formula: Ti[OC(CH3)3]4 Molecular Weight: 340,32 g/mol ComponentConcentration Titanium(4+) 2-methylpropan-2-olate CAS-No.3087-39-6- EC-No.221-412-9 Section4. FIRST AID MEASURES Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Indication of any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Special hazards arising from the substance or mixture Carbon oxides, Titanium/titanium oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information Use water spray to cool unopened containers. Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations (see section 13). Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid contact with skin and eyes. Avoid inhalation of vapour or mist. Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic charge. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Exposure to moisture. Store under inert gas. Specific end uses no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Immersion protection Material: Nitrile rubber Minimum layer thickness: 0,4 mm Break through time: > 480 min Material tested:Camatril® ( Z677442, Size M) Splash protection Material: Nitrile rubber Minimum layer thickness: 0,4 mm Break through time: > 30 min Material tested:Camatril® ( Z677442, Size M) data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 873000, test method: EN374 If used in solution, or mixed with other substances, and under conditions which differ from EN 374, contact the supplier of the CE approved gloves. This recommendation is advisory only and must be evaluated by an Industrial Hygienist familiar with the specific situation of anticipated use by our customers. It should not be construed as offering an approval for any specific use scenario. Body Protection impervious clothing, Flame retardant antistatic protective clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: liquid Colour: colourless b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and 160 - 165 °C at 20 hPa boiling range g) Flash point47,2 °C - closed cup h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressure43,00 hPa at 136 °C l) Vapour densityno data available m) Relative density0,881 g/mL at 25 °C n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Autoignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid Heat, flames and sparks. Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure Inhalation - May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects Inhalation May be harmful if inhaled. Causes respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. Causes skin irritation. EyesCauses serious eye irritation. Signs and Symptoms of Exposure To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Additional Information RTECS: Not available Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: 1993IMDG: 1993IATA: 1993 UN proper shipping name ADR/RID: FLAMMABLE LIQUID, N.O.S. (Titanium(4+) 2-methylpropan-2-olate) IMDG: FLAMMABLE LIQUID, N.O.S. (Titanium(4+) 2-methylpropan-2-olate) IATA:Flammable liquid, n.o.s. (Titanium(4+) 2-methylpropan-2-olate) Transport hazard class(es) ADR/RID: 3IMDG: 3IATA: 3 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 符号: GHS02, GHS07
• 信号词: Warning
• 危害声明: H226-H319
• 警示性声明: P210-P305 + P351 + P338-P370 + P378
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R10
• 安全声明 (欧洲): 16-26-36
• 危险品运输编码: UN 1993 3
• WGK德国: 3
• 海关编码: 2931900090

合成路线

7550-45-0 75-65-0 ~85% 3087-39-6

文献：Yatluk; Suvorov Journal of applied chemistry of the USSR, 1985 , vol. 58, # 8 pt 2 p. 1678 - 1680

82209-31-2 3275-24-9 ~0% 183559-62-8 3087-39-6

文献：Johnson; Lee; Odom; Davis; Cummins Angewandte Chemie - International Edition in English, 1997 , vol. 36, # 1-2 p. 87 - 91

3087-36-3 75-65-0 ~% 3087-39-6

文献：Journal of Organic Chemistry, , vol. 14, p. 656,658

上下游产品

上游产品  5
7550-45-0 75-65-0 82209-31-2 3275-24-9
3087-36-3
下游产品  3
110-05-4 67-64-1 75-65-0

海关

海关编码	2931900090
中文概述	2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
Summary	2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%