2,3,4,6-四-O-苄基-D-吡喃半乳糖

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

2,3,4,6-四-O-苄基-D-吡喃半乳糖 基本信息

中文名称:
2,3,4,6-四-O-苄基-D-吡喃半乳糖 
中文别名:
2,3,4,6-四-O-苄基-D-吡喃半乳糖;
2,3,4,6-四邻苄基-d-吡喃葡萄糖;
2,3,4,6-四-O-苄基-D-吡喃(型)半乳糖;
2,3,4,6-四苄基-D-吡喃半乳糖 
英文名称:
D-Galactose,2,3,4,6-tetrakis-O-(phenylmethyl)-
英文别名:
2,3,4,6-TETRA-O-BENZYL-D-GALACTOPYRANOSE;
2,3,4,6-Tetra-O-benzyl-D-galactopyranose 
CAS No.:
53081-25-7
分 子 式:
C34H36O6
分 子 量:
540.65
精确分子量:
540.25100
PSA:
66.38000
MDL:
MFCD00132927
InChI:
InChI=1/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31+,32+,33-,34+/m1/s1
风险术语:
36/37/38
分子结构式:
SDS:
查看

2,3,4,6-四-O-苄基-D-吡喃半乳糖 物化性质

外观与性状:
白色粉末
密度:
1.22 g/cm3
熔点:
60-63ºC
沸点:
672.4ºC at 760 mmHg
闪点:
360.4ºC
折射率:
1.619
存储条件/存储方法:

密封、在 -20ºC下保存

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

        
其它信息:

1.       性状:粉末

2.       密度(g/mL,25ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1): 未确定

4.       熔点(ºC):60-63

5.       沸点(ºC):未确定

6.       沸点(ºC90mm hg):未确定

7.       折射率:未确定

8.       闪点(°F):未确定

9.       比旋光度(ºC):未确定

10.    自燃点或引燃温度(ºC): 未确定

11.    蒸气压(kPa,20ºC):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:难溶解于水的

2,3,4,6-四-O-苄基-D-吡喃半乳糖 安全信息

危险类别码:
36/37/38
安全说明:
24/25
危险标志:
Xi

2,3,4,6-四-O-苄基-D-吡喃半乳糖 毒理性

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

2,3,4,6-四-O-苄基-D-吡喃半乳糖 MSDS

Name: 2 3 4 6-Tetra-O-Benzyl-D-Galactopyranose 98% Material Safety Data Sheet
Synonym: None Known
CAS: 53081-25-7
Section 1 - Chemical Product   MSDS Name:2 3 4 6-Tetra-O-Benzyl-D-Galactopyranose 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
53081-25-7 2,3,4,6-Tetra-O-Benzyl-D-Galactopyrano 98% unlisted
Hazard Symbols: None Listed.
Risk Phrases: 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.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
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# 53081-25-7: 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: Crystalline powder
Color: white to almost white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 60-63 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C34H36O6
Molecular Weight: 540.66

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 53081-25-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3,4,6-Tetra-O-Benzyl-D-Galactopyranose - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 53081-25-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 53081-25-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 53081-25-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,3,4,6-四-O-苄基-D-吡喃半乳糖 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):4.7

2.氢键供体数量:1

3.氢键受体数量:6

4.可旋转化学键数量:17

5.互变异构体数量:2

6.拓扑分子极性表面积74.2

7.重原子数量:40

8.表面电荷:0

9.复杂度:649

10.同位素原子数量:0

11.确定原子立构中心数量:4

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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