137536-94-8

• 常用中文名：(4R,5R)-(-)-2,2-二甲基-α,α,α'',α''-四(1-萘基)-1,3-二氧戊环-4,5-二甲醇
• 常用英文名：((4R,5R)-2,2-DIMETHYL-1,3-DIOXOLANE-4,5-DIYL)BIS(DI(NAPHTHALEN-1-YL)METHANOL)
• CAS号：137536-94-8
• 分子式：C₄₇H₃₈O₄
• 分子量：666.80200
• 发布时间：2018-10-06 00:23:20
• 更新时间：2024-01-02 12:32:43

名称

• 中文名: (4R,5R)-(-)-2,2-二甲基-ALPHA,ALPHA,ALPHA’,ALPHA’-四(1-萘基)-1,3-二恶烷-4,5-二甲醇
• 英文名: [(4R,5R)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-dinaphthalen-1-ylmethanol
• 中文别名: (4R,5R)-(-)-2,2-二甲基-alpha,alpha,alpha',alpha'-四(1-萘基)-1,3-二恶烷-4,5-二甲醇

物化性质

• 沸点: 200°C
• 熔点: 200ºC (dec.)(lit.)
• 分子式: C₄₇H₃₈O₄
• 分子量: 666.80200
• 精确质量: 666.27700
• PSA: 58.92000
• LogP: 9.99150
• 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：207.08

  2、 摩尔体积（m³/mol）：525.1

  3、 等张比容（90.2K）：1455.5

  4、 表面张力（dyne/cm）：59.0

  5、 极化率（10 ^-24cm ³）：82.09

• 计算化学:

  1.疏水参数计算参考值（XlogP）:9.8

  2.氢键供体数量:2

  3.氢键受体数量:4

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积58.9

  7.重原子数量:51

  8.表面电荷:0

  9.复杂度:1160

  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:2

  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）：200

  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

Section 1: Product Identification (4R,5R)-(-)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanol, min. 97% Chemical Name: (R,R)-1-Nph-TADDOL CAS Registry Number:137536-94-8 Formula:C47H38O4 EINECS Number:none Chemical Family:organic alcohol Synonym:[5-(Hydroxy-di-naphthalen-1-yl-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-di-naphthalen-1-yl-methanol Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound137536-94-8100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin and eyes. Dust is irritating to respiratory tract.May be harmful if swallowed. Primary Routes of Exposure:Ingestion ,inhalation of dust, skin, eyes Eye Contact:Causes slight to mild irritation of the eyes. Skin Contact:Causes slight to mild irritation of the skin. Inhalation:Irritating to the nose, mucous membranes and respiratory tract. Ingestion:No information available on the physiological effects of ingestion. Acute Health Affects:Irritating to skin, eyes and respiratory tract. Chronic Health Affects:No information available on the long-term chronic effects. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area immediately with water. Remove contaminated clothing if necessary. Seek medical Skin Exposure: assistance if irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:not applicable Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry powder or foam If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self- contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit toxic organic fumes, carbon monoxide and carbon dioxide. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up. SECTION 7: Handling and Storage Handling and Storage:Store the material in a tightly sealed container in a cool, dry place. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove. Ventilation:Handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:white powder Molecular Weight:666.82 Melting Point:200°(dec) Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:none Solubility in Water:soluble SECTION 10: Stability and Reactivity Stability:air and moisture stable solid Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:oxidizing agents and halogens Decomposition Products:carbon monoxide, carbon dioxide and organic fumes SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:no data Mutagenic Effects:no data Tetratogenic Effects:no data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to federal, state, and local regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory. SARA (Title 313):Title compound not listed. Second Ingredient:none 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。

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39