122406-45-5

• 常用中文名：15,35,55,75-四叔丁基-32,72-二甲氧基-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-二醇
• 常用英文名：15,35,55,75-Tetra-tert-butyl-32,72-dimethoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diol
• CAS号：122406-45-5
• 分子式：C₄₆H₆₀O₄
• 分子量：676.96600
• 相关类别： 化学试剂 有机试剂 烷烃
• 发布时间：2018-12-25 15:06:49
• 更新时间：2024-01-09 10:18:50

名称

• 中文名: 1,3-二甲氧基-4-叔丁基杯芳烃
• 英文名: 1,3-dimethoxy-4-tert-butylcalix(4)arene
• 中文别名: 1,3-二甲氧基-4-叔丁基杯[4]芳烃
• 英文别名: 5,11,17,23-tetra(tert-butyl)-25,27-dimethoxy-26,28-dihydroxycalix[4]arene; 1,3-DIMETHOXY-4-TERT-BUTYLCALIX[4]ARENE; 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-di(methyloxy)calix[4]arene; 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis(methyloxy)calix[4]arenetitanium(IV) dichloride; 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-dimethoxycalix[4]arene; 24,26-dimethoxy-25,27-dihydroxy-5,11,17,23-tetra(4-tert-butyl)calix[4]arene; 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-dihydroxy-26,28-dimethoxycalix[4]arene

物化性质

• 密度: 1.051g/cm3
• 沸点: 712.8ºC at 760mmHg
• 分子式: C₄₆H₆₀O₄
• 分子量: 676.96600
• 闪点: 384.9ºC
• 精确质量: 676.44900
• PSA: 58.92000
• LogP: 10.98160
• 蒸汽压: 5.43E-21mmHg at 25°C
• 折射率: 1.557
• 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：207.48

  2、 摩尔体积（m³/mol）：643.7

  3、 等张比容（90.2K）：1589.1

  4、 表面张力（dyne/cm）：37.1

  5、 极化率（10^-24cm³）：82.25

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：无可用

  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）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  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

Name: 1,3-Dimethoxy-4-tert-butylcalix[4]arene, 99% (tlc) Material Safety Data Sheet Synonym: None Known. CAS: 122406-45-5 Section 1 - Chemical Product MSDS Name: 1,3-Dimethoxy-4-tert-butylcalix[4]arene, 99% (tlc) Material Safety Data Sheet Synonym: None Known. SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 122406-45-5 1,3-Dimethoxy-4-tert-butylcalix[4]aren 99 unlisted +++++ Hazard Symbols: None Listed. SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled. Chronic: No information found. SECTION 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. SECTION 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. SECTION 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. SECTION 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Store in a tightly closed container. SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 122406-45-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C46H60O4 Molecular Weight: 676.97 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Not currently available. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 122406-45-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 1,3-Dimethoxy-4-tert-butylcalix[4]arene - Not listed by ACGIH, IARC, or NTP. SECTION 12 - ECOLOGICAL INFORMATION SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. SECTION 14 - TRANSPORT INFORMATION IATA Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 122406-45-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 122406-45-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 122406-45-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 9/02/1997 Revision #3 Date: 2/18/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. 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

• 安全声明 (欧洲): S24/25

合成路线

157432-87-6 74-88-4 ~92% 122406-45-5

文献：Wang, Wen-Guang; Zheng, Qi-Yu; Huang, Zhi-Tang Synthetic Communications, 1999 , vol. 29, # 21 p. 3711 - 3718

157432-87-6 80-48-8 ~87% 122406-45-5

文献：Clainche, Loic Le; Giorgi, Michel; Reinaud, Olivia European Journal of Inorganic Chemistry, 2000 , # 9 p. 1931 - 1934

157432-87-6 80-48-8 ~69% 122406-45-5 124690-16-0

文献：Tetrahedron Letters, , vol. 53, # 2 p. 141 - 144

125065-61-4 74-88-4 ~86% 122406-45-5

文献：Pitarch, Miguel; Browne, Julie K.; McKervey, M. Anthony Tetrahedron, 1997 , vol. 53, # 47 p. 16195 - 16204

157432-87-6 ~% 122406-45-5

文献：Tetrahedron Letters, , vol. 46, # 42 p. 7259 - 7262

105880-81-7 ~% 122406-45-5

文献：Tetrahedron Letters, , vol. 32, # 16 p. 1909 - 1912

128910-39-4 ~% 122406-45-5

文献：Tetrahedron Letters, , vol. 32, # 16 p. 1909 - 1912

157432-87-6 77-78-1 ~% 122406-45-5

文献：Supramolecular Chemistry, , vol. 22, # 4 p. 256 - 266

186581-53-3 157432-87-6 ~% 122406-45-5

文献：Tetrahedron, , vol. 39, # 3 p. 409 - 426