a-D-Glucopyranose,1,2,3,4,6-pentaacetate
- 中文别名：葡萄糖五乙酸酯
- 中文释义：α-D(+)-五乙酰葡萄糖;1,2,3,4,6-五乙酰-α-D-吡喃葡萄糖酯;葡萄糖五乙酸酯;α-D-葡萄糖五乙酸酯;1,2,3,4,6-五-O-乙酰-α-D-吡喃葡萄糖;1,2,3,4,6-alpha-D-葡萄糖五乙酸酯;α-葡萄糖五乙酸酯;a-D-葡糖五乙酸酯;五-O-乙酰-α-D-吡喃葡萄糖;α-五乙酰葡萄糖
- 英文别名：α-D(+)-Glucose pentaacetate;
[(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
- CAS No.：604-68-2
- 分子式：C16H22O11
- 分子量：390.34
- 精确分子量：390.11600
- PSA：140.73000
- MDL：MFCD00064071
- InChI：The Key: LPTITAGPBXDDGR-RBGFHDKUSA-N
- 分子结构式：
物化性质
- 外观与性状：
- 无气味的白色粉末
- 密度：
- 1.3 g/cm3
- 熔点：
- 109-113ºC
- 沸点：
- 452ºC
- 水溶解性：
- < 5 G/L (25 °C)
- 折射率：
- 1.482
- 存储条件/存储方法：
贮存：
将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。
- 稳定性相关：
性质与稳定性：
常温常压下，或不分解产物。
- 其它信息：
物性数据；
葡萄糖五乙酸酯 安全信息
- 海关代码：
- 29400000
- WGK_Germany：
- 3
德国有关水污染物质的分类清单 - 危险类别码：
- R21
- 安全说明：
- S24/25
- 安全标志：
- S24/25:防止皮肤和眼睛接触。
- 危险标志：
- Xn,Xi
安全信息
- 外观与性状：
- 无气味的白色粉末
- 密度：
- 1.3 g/cm3
- 熔点：
- 109-113ºC
- 沸点：
- 452ºC
- 水溶解性：
- < 5 G/L (25 °C)
- 折射率：
- 1.482
- 存储条件/存储方法：
贮存：
将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。
- 稳定性相关：
性质与稳定性：
常温常压下，或不分解产物。
- 其它信息：
物性数据；
葡萄糖五乙酸酯 安全信息
- 海关代码：
- 29400000
- WGK_Germany：
- 3
德国有关水污染物质的分类清单 - 危险类别码：
- R21
- 安全说明：
- S24/25
- 安全标志：
- S24/25:防止皮肤和眼睛接触。
- 危险标志：
- Xn,Xi
毒理性
- 生态数据：
三、生态学数据：
1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。
MSDS
| Name: | alpha-D-Glucose pentaacetate 98% Material Safety Data Sheet |
| Synonym: | 1,2,3,4,6-Pentaacetyl-alpha-D-glucos |
| CAS: | 604-68-2 |
Section 1 - Chemical Product MSDS Name:alpha-D-Glucose pentaacetate 98% Material Safety Data Sheet
Synonym:1,2,3,4,6-Pentaacetyl-alpha-D-glucos
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 604-68-2 | alpha-D-Glucose pentaacetate | 98 | 210-073-2 |
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.
Expected to be a low ingestion hazard.
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. If irritation develops, get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. 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.
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 if cough or other symptoms appear.
Notes to Physician:
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:
Do NOT use water directly on fire. Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
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# 604-68-2: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Powder
Color: White powder
Odor: Odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 111 - 112 deg C
Autoignition Temperature: > 500 deg C (> 932.00 deg F)
Flash Point: > 150 deg C (> 302.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: >200 deg C
Solubility in water: < 5 G/L (25C)
Specific Gravity/Density:
Molecular Formula: C16H22O11
Molecular Weight: 390.33
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 604-68-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
alpha-D-Glucose pentaacetate - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 604-68-2: No information available.
Canada
CAS# 604-68-2 is listed on Canada's NDSL List.
CAS# 604-68-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 604-68-2 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
N/A
分子结构与计算化学数据
分子结构数据
五、分子性质数据：
1、 摩尔折射率：85.00
2、 摩尔体积（m3/mol）：298.0
3、 等张比容（90.2K）：779.0
4、 表面张力（dyne/cm）：46.7
5、 极化率（10-24cm3）：33.69
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:0
3.氢键受体数量:11
4.可旋转化学键数量:11
5.互变异构体数量:无
6.拓扑分子极性表面积141
7.重原子数量:27
8.表面电荷:0
9.复杂度:599
10.同位素原子数量:0
11.确定原子立构中心数量:5
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
