甲基葡萄糖

甲基葡萄糖 基本信息
CAS号 13224-94-7 分子式 C7H14O6
分子量 194.18200 精确质量 　194.07900
PSA 　99.38000 LogP 　-2.56730
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等价的CAS号：

3370-81-8,13224-94-7,13224-95-8,18046-04-3,20972-04-7,27552-10-9,31505-24-5,34685-48-8,34685-62-6,35521-95-0,55058-38-3,55058-40-7,65831-49-4,126874-22-4,126874-23-5,24807-95-2
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目录
基本信息 物化性质 安全信息 化学图谱 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
13224-94-7
3D弹球模型：
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分子式：
C7H14O6
分子量：
194.18200
中文名称：
甲基葡萄糖
英文名称：
3-O-Methyl-D-glucopyranose
中文别名：
甲基葡萄糖;
3-O-甲基-D-葡萄糖;
3-O-甲基-D-吡喃葡萄糖
英文别名：
3-O-Methyl-D-glucopyranose;
3-O-METHYL-ALPHA-D-GLUCOPYRANOSE;
3-O-METHYL-α-D-GLUCOPYRANOSE
精确分子量/精确质量：
194.07900
极性分子表面积/PSA：
99.38000
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：
MFCD00063266
EINECS：
236-197-7
PubChem：
24896954
InChI：
InChI=1/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1

物化性质展开↓

外观与性状：
白色细结晶粉末
密度：
1.47g/cm3
熔点：
167-169 °C(lit.)
沸点：
406.3ºC at 760mmHg
闪点：
199.5ºC
折射率：
1.548
蒸汽压：
0mmHg at 25°C
其它信息：

1.        性状：白色结晶粉末

2.        密度（g/mL,25℃）：未确定

3.        相对蒸汽密度（g/mL,空气=1）：未确定

4.        熔点（ºC）：167-169

5.        沸点（ºC,常压）：未确定

6.        沸点（ºC，15mmHg）：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（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：未确定

安全信息展开↓

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
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：
Xi

化学图谱

  1. 3-O-甲基葡萄糖核磁图(13CNMR)

  2. 3-O-甲基葡萄糖核磁图(1HNMR)

  3. 3-O-甲基葡萄糖红外图谱(IR1)

  4. 3-O-甲基葡萄糖红外图谱(IR2)

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MSDS 展开↓

Name: 3-O-Methylglucose 99% Material Safety Data Sheet
Synonym: 3-O-Methyl-alpha-D-glucopyranos
CAS: 13224-94-7
Section 1 - Chemical Product   MSDS Name:3-O-Methylglucose 99% Material Safety Data Sheet
Synonym:3-O-Methyl-alpha-D-glucopyranos
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13224-94-7 3-O-Methylglucose 99 236-197-7
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: Immediately 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.
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:
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 appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)
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# 13224-94-7: 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:
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: Crystals
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 167.00 - 169.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C7H14O6
Molecular Weight: 194.18
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
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# 13224-94-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-O-Methylglucose - 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# 13224-94-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13224-94-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13224-94-7 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↓

分子结构数据

1、   摩尔折射率：41.92

2、   摩尔体积（m3/mol）：131.9

3、   等张比容（90.2K）：379.2

4、   表面张力（dyne/cm）：68.3

5、   极化率（10-24cm3）：16.61

计算化学数据

1、   疏水参数计算参考值（XlogP）：-2.1

2、   氢键供体数量：4

3、   氢键受体数量：6

4、   可旋转化学键数量：2

5、   拓扑分子极性表面积（TPSA）：99.4

6、   重原子数量：13

7、   表面电荷：0

8、   复杂度：163

9、   同位素原子数量：0

10、   确定原子立构中心数量：5

11、   不确定原子立构中心数量：0

12、   确定化学键立构中心数量：0

13、   不确定化学键立构中心数量：0

14、   共价键单元数量：1

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