六-O-乙酰基-呋喃葡烯糖-5-半乳糖甘

六-O-乙酰基-呋喃葡烯糖-5-半乳糖甘 基本信息
CAS号 51450-24-9 分子式 C24H32O15
分子量 560.50200 精确质量  560.17400
PSA  185.49000 LogP  -0.13800

等价的CAS号:

51450-24-9,67314-34-5,67314-36-7,71276-40-9

基本信息 展开↓

CAS号:
51450-24-9
3D弹球模型:
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分子式:
C24H32O15
分子量:
560.50200
中文名称:
六-O-乙酰基-呋喃葡烯糖-5-半乳糖甘
英文名称:
LACTAL, HEXAACETATE
中文别名:
六-O-乙酰基-呋喃葡烯糖-5-半乳糖甘;
3,6-O-二乙酰基-4-O-(2,3,4,6-O-四乙酰基-BETA-D-吡喃半乳糖基)-D-葡萄烯糖
英文别名:
LACTAL, HEXAACETATE;
1,5-Anhydro-2-deoxy-4-O-(2,3,4,6-tetra-O-acetyl-.;
2',3,3',4',6,6'-hexa-O-acetyl-D-lactal
精确分子量/精确质量:
560.17400
极性分子表面积/PSA:
185.49000
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: RCDAESHZJBZWAW-AXHDHDPASA-N

物化性质展开↓

外观与性状:
白色至略黄色晶体或结晶
密度:
1.34 g/cm3
熔点:
109-111ºC
沸点:
591.7ºC at 760 mmHg
闪点:
249.2ºC
折射率:
1.51

安全信息展开↓

安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 27891-80-1

    27891-80-1

  • ~96%

  • 51450-24-9

    六-O-乙酰基-呋喃葡烯糖-5-半乳糖甘

  • 4753-07-5

    Bromo Heptaacetyl-D-lactoside

  • ~93%

  • 51450-24-9

    六-O-乙酰基-呋喃葡烯糖-5-半乳糖甘

  • 70223-97-1

    N-(m-tolyl)methanesulfonamide

  • ~89%

  • 51450-24-9

    六-O-乙酰基-呋喃葡烯糖-5-半乳糖甘

MSDS 展开↓

Name: Hexa-O-acetyl-lactal Material Safety Data Sheet
Synonym:
CAS: 51450-24-9
Section 1 - Chemical Product   MSDS Name:Hexa-O-acetyl-lactal Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
51450-24-9 Hexa-O-acetyl-lactal unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Moisture sensitive.Light sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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. Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Store in a dry area. Freeze.
Store under argon.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 51450-24-9: 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: Solid or liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C24H32O15
Molecular Weight: 560.51

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, light, moisture.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 51450-24-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Hexa-O-acetyl-lactal - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 51450-24-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51450-24-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51450-24-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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):-0.2

2.氢键供体数量:0

3.氢键受体数量:15

4.可旋转化学键数量:16

5.互变异构体数量:无

6.拓扑分子极性表面积186

7.重原子数量:39

8.表面电荷:0

9.复杂度:959

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:8

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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