(R)-(+)-5,5,6,6-四甲基-3,3-二叔丁基-1,1-联苯-2,2-二醇

(R)-(+)-5,5,6,6-四甲基-3,3-二叔丁基-1,1-联苯-2,2-二醇 基本信息
CAS号 329735-68-4 分子式 C24H34O2
分子量 354.52600 精确质量  354.25600
PSA  40.46000 LogP  6.59340

等价的CAS号:

329735-68-4,101203-31-0,205927-03-3

基本信息 展开↓

CAS号:
329735-68-4
3D弹球模型:
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分子式:
C24H34O2
分子量:
354.52600
中文名称:
(R)-(+)-5,5,6,6-四甲基-3,3-二叔丁基-1,1-联苯-2,2-二醇
英文名称:
(S)-(-)-5,5',6,6'-TETRAMETHYL-3,3'-DI-TERT-BUTYL-1,1'-BIPHENYL-2,2'-DIOL
中文别名:
(R)-(+)-5,5,6,6-四甲基-3,3-二叔丁基-1,1-联苯-2,2-二醇;
R-3,3'-二-叔丁-5,5',6,6'-四甲基联苯-2,2'-二醇
英文别名:
(S)-(-)-5,5',6,6'-TETRAMETHYL-3,3'-DI-TERT-BUTYL-1,1'-BIPHENYL-2,2'-DIOL;
RAC-3,3'-DI-T-BUTYL-5,5',6,6'-TETRAMETHYL-1,1'-BIPHENYL-2,2'-DIOL;
5,5',6,6'-TETRAMETHYL-3,3'-DI-TERT-BUTYL-1,1'-BIPHENYL-2,2'-DIOL;
RACEMIC-5,5',6,6'-TETRAMETHYL-3,3'-DI-T-BUTYL-1,1'-BIPHENYL-2,2'-DIOL;
(S)-(-)-BIPHEN H2;
(R)-(+)-5,5',6,6'-TETRAMETHYL-3,3'-DI-T-BUTYL-1,1'-BIPHENYL-2,2'-DIOL;
(S)-3,3'-di-tert-butyl-5,5',6,6'-tetramethyl-1,1'-biphenyl-2,2'-diol;
R-3,3'-Di-tert-butyl-5,5',6,6'-tetraMethylbiphenyl-2,2'-diol;
BIPHEN H2;
(R)-(+)-BIPHEN H2
精确分子量/精确质量:
354.25600
极性分子表面积/PSA:
40.46000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: NMVVBVMYPLMIOU-UHFFFAOYSA-N

物化性质展开↓

熔点:
170-174ºC
存储条件/存储方法:

 

 密封于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

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):170-174

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

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       (R)-(+)-5,5',6,6'-Tetramethyl-3,3'-di-t-butyl-1,1'-biphenyl-2,2'-diol, 99% (R)-BIPHEN H2    
   CAS Registry Number:       329735-68-4    
   Formula:       C24H34O2    
   EINECS Number:       none    
   Chemical Family:       organic alcohol    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       329735-68-4       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       No particular hazard associated with this material.    
   Primary Routes of Exposure:       Ingestion    
   Eye Contact:       May cause irritation to the eyes    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       The material is a crystalline solid. Inhalation is an unlikely source of exposure.    
   Ingestion:       No information is available on the physiological effects of ingestion.    
   Other than a possible irritant, no information is available on the acute health effects of exposure to this
   Acute Health Affects:
   material.
   Chronic Health Affects:       No information available on 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 with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   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:       none    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes.    
   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 in a tightly container. Keep away from heat and moisture.    

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.    
   Ventilation:       If possible, handle the material in an efficient fume hood.    
   Respirator:       No respirator is required when handling this material.    
   Ventilation:       If possible, 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:       354.54    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture-stable solid    
   Hazardous Polymerization:       none    
   Conditions to Avoid:       none    
   Incompatibility:       strong oxidizing agents    
   Decomposition Products:       carbon dioxide, carbon monoxide, and organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No data available in the RTECS files.    
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal 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 on the TSCA inventory    
   SARA (Title 313):       not regulated by Title 313    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


 

1、  摩尔折射率:110.68

2、  摩尔体积(m3/mol):350.0

3、  等张比容(90.2K):857.3

4、  表面张力(dyne/cm):35.9

5、  极化率10-24cm3):43.87

  

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