28801-57-2

• 常用中文名：4', 4'' (5'')-二叔丁基二环己基并-18-冠-6
• 常用英文名：agn-pc-00gomh
• CAS号：28801-57-2
• 分子式：C₂₈H₅₂O₆
• 分子量：484.70900
• 相关类别： 化学试剂 有机试剂 冠醚
• 发布时间：2018-12-30 20:39:27
• 更新时间：2024-01-21 07:19:02

名称

• 中文名: 4’, 4’’ (5’’)-二叔丁基二环己基并-18-冠-6
• 英文名: agn-pc-00gomh
• 中文别名: 4',4'' (5'')-二叔丁基二环己基并-18-冠-6
• 英文别名: MFCD00068562

物化性质

• 密度: 0.984g/cm3
• 沸点: 190-195ºC0.05 mm Hg(lit.)
• 分子式: C₂₈H₅₂O₆
• 分子量: 484.70900
• 闪点: 207.871ºC
• 精确质量: 484.37600
• PSA: 55.38000
• LogP: 5.26640
• 外观性状: 透明无色粘性液体
• 蒸汽压: 0mmHg at 25°C
• 折射率: n20/D 1.485
• 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：134.36

  2、 摩尔体积（m³/mol）：502.0

  3、 等张比容（90.2K）：1165.6

  4、 表面张力（dyne/cm）：29.0

  5、 极化率（10^-24cm³）：53.26

• 计算化学:

  1.疏水参数计算参考值（XlogP）:5

  2.氢键供体数量:0

  3.氢键受体数量:6

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积55.4

  7.重原子数量:34

  8.表面电荷:0

  9.复杂度:518

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:6

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 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）：190-195/0.05 mm Hg

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.485

  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: 4 4"(5")-Di-tert. butyldicyclohexano-18-crown-6 mixture of isomers Material Safety Data Sheet Synonym: CAS: 28801-57-2 Section 1 - Chemical Product MSDS Name:4 4"(5")-Di-tert. butyldicyclohexano-18-crown-6 mixture of isomers Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 28801-57-2 4', 4" (5")-Di-tert. butyldicyclohexan unlisted Hazard Symbols: T Risk Phrases: 23/24/25 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air). Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Toxic in contact with skin. Ingestion: May cause irritation of the digestive tract. Poison by ingestion. Inhalation: Causes respiratory tract irritation. Toxic if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid immediately. Wash mouth out with water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Isolate area and deny entry. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Store under nitrogen. 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# 28801-57-2: Personal Protective Equipment Eyes: Not available. 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: Viscous liquid Color: clear colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 190 - 195 deg C @ 0.05 mmHg 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: C28H52O6 Molecular Weight: 484.72 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 28801-57-2: HP5385300 LD50/LC50: Not available. Carcinogenicity: 4', 4" (5")-Di-tert. butyldicyclohexano-18-crown-6 - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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: Toxic liquid, organic, n.o.s.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: Toxic liquid, organic, n.o.s. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24/25 Toxic by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 28 After contact with skin, wash immediately with... S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 38 In case of insufficient ventilation, wear suitable respiratory equipment. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 28801-57-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 28801-57-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 28801-57-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : HP5385300 CHEMICAL NAME : Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, eicosahydro-2,?-bis(1,1-dimethylethyl)- CAS REGISTRY NUMBER : 28801-57-2 LAST UPDATED : 199109 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C28-H52-O6 MOLECULAR WEIGHT : 484.80 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 28 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,402,1989

安全

• 危害码 (欧洲): T
• 风险声明 (欧洲): R23/24/25;R36/37/38
• 安全声明 (欧洲): S26-S28-S36/37/39-S38-S45
• 危险品运输编码: UN 2811 6.1/PG 3
• WGK德国: 3
• RTECS号: HP5385300