(S)-(-)-5,5’,6,6’-四甲基-3,3’-二-叔丁-1,1’-联苯-2,2’-二醇

(S)-(-)-5,5’,6,6’-四甲基-3,3’-二-叔丁-1,1’-联苯-2,2’-二醇 基本信息
CAS号 205927-03-3 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:

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

基本信息 展开↓

CAS号:
205927-03-3
3D弹球模型:
立即前往扯扯看
分子式:
C24H34O2
分子量:
354.52600
中文名称:
(S)-(-)-5,5’,6,6’-四甲基-3,3’-二-叔丁-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:
(S)-(-)-5,5’,6,6’-四甲基-3,3’-二-叔丁-1,1’-联苯-2,2’-二醇;
(S)-(-)-5,5',6,6'-四甲基-3,3'-二叔丁基-1,1'-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;
UNII-H4QBZ2LO84 component XXRMYXBSBOVVBH-RGMNGODLSA-N
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。
贝尔斯坦号/MDL:
MFCD01862439
PubChem:
24880926
InChI:
The Key: NMVVBVMYPLMIOU-UHFFFAOYSA-N

物化性质展开↓

熔点:
170-174ºC
存储条件/存储方法:

保存方法:密闭,阴凉,干燥处

稳定性相关:

避氧化物

其它信息:

1.      性状:白色粉末
2.      密度(g/mL20 ºC):未确定

3.      相对蒸汽密度(g/mL,空气=1)未确定

4.      熔点(ºC):171-172
 5.      沸点(ºC,常压):未确定

6.      沸点(ºC5mmHg):未确定

7.      折射率:未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(kPa,25ºC):未确定

12.   饱和蒸气压(kPa,60ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

安全信息展开↓

海关代码:
2907299090
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

毒理性展开↓

生态数据:

1、其它有害作用:通常对水是稍微危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       (S)-(-)-5,5'-6,6'-Tetramethyl-3,3'-di-t-butyl-1,1'-biphenyl-2,2'-diol, 99% (S)-BIPHEN H2    
   CAS Registry Number:       205927-03-3    
   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       205927-03-3       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

海关数据查看详细

中国海关编码:2907299090

概述:
2907299090 其他多元酚,酚醇。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1、   疏水参数计算参考值(XlogP):7.6

2、   氢键供体数量:2

3、   氢键受体数量:2

4、   可旋转化学键数量:3

5、   互变异构体数量:53

6、   扑分子极性表面积(TPSA):40.5

7、   重原子数量:26

8、   表面电荷:0

9、   复杂度:428

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:0

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

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