492-61-5 (莨菪亭,β-D-Glucose)

结构式:
CAS号:
492-61-5
中文名称:
莨菪亭
英文名称:
β-D-Glucose
分子式:
C6H12O6
分子量:
180.155882835388
简介:
莨菪亭,针状或棱形结晶。熔点204℃。UVλmax230、254、260、298、346nm。能溶于热醇或热的冰乙酸,略溶于氯仿,微溶于水或冷醇,几乎不溶于苯。 存在于烤烟烟叶、白肋烟烟叶、烟气中,YT/C 202-2006有关于烟草及其烟草制品的检测。另外在一些中草药中有这类物质,有一定的生理活性。

莨菪亭(492-61-5)名称与标识符

名称

中文别名:
莨菪亭;β-D-葡萄糖(含α-D-葡萄糖);B-D-(+)-葡萄糖 (RG);Beta-d-葡萄糖;D(+)-葡萄糖一水合物;
英文别名:
beta-D-Glucose;beta-D-Glucose (contains alpha-D-Glucose);GLUCOSE, B-D-(+)-(RG) PrintBack;β-D-Glucose​;βDEXTROSE;rosedihydroketone;trans-2,6,6-trimethyl-1-crotonoyl-1-cyclohexene;trans-2,6,6-Trimethyl-1-crotonylcyclohex-1-ene;beta-D-glucopyranose;glucoside;b-D-Glucopyranose;beta-glucose;beta-Dextrose;b-Glucose;b-d-glucose;.beta.-D-Glucopyranose;WQZGKKKJIJFFOK-VFUOTHLCSA-N;J4R00M814D;(2R,3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol;Grape sugar;Curdlan;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;.beta.-D-Glucose;ZYMOSAN;Glucose, (beta-D)-Isomer;Callose;b-Dextrose;beta-D-Glucopyranose, anhydrous;Galacti;β-D-Glucose;?-D-Glucose (contains alpha-D-Glucose);Vadex;UNII-J4R00M814D;(1->6)-beta-D-glucan;Clintose L;beta -d-glucose;492-61-5;.beta.-d-Glucose, anhydrous;(1->4)-beta-D-glucan;28905-12-6;NS00069369;CHEBI:27517;D90709;BDBM50240803;I(2)-D-Glucopyranose;(+)-Glucose;Tabfine 097(HS);CHEBI:18246;Staleydex 95M;CS-0083772;YC46078;(1->3)-beta-D-glucopyranan;GLUCOSE, BETA-D-;50986-29-3;Beta-D-glucose(contains alpha-D-glucose);4-Morpholineacetic acid, a-Methylene-, Methyl ester;DTXSID70883403;.BETA.-D-GLUCOSE ANHYDROUS;(1->6)-beta-D-glucopyranan;Corn sugar;128009-02-9;(1,2-beta-D-glucosyl)n;Roferose ST;beta-D-glucose; D-glucose; glucose;beta-D-Glc;MFCD00063989;6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol;BGC;C00221;9010-72-4;CHEMBL1614854;Beta-D-glucose anhydrous;Glucosides;Meritose;Q23905968;AKOS016010209;NSC-759603;W-202206;(1->4)-beta-D-glucopyranan;9001-37-0;Pharmakon1600-01300015;GLUCOSE, .BETA.-D;Glucose oxidase;BS-22220;CHEBI:15903;CHEBI:27380;Clearsweet 95;.beta.-D-ribo-Hexopyranose, 1,6-anhydro-3-deoxy-2-O-phenyl-4-O-(phenylmethyl)-;Glucodin;(1->2)-beta-D-glucan;CHEBI:37671;(1->3)-beta-D-glucan;beta-(1,3)-glucan;NSC759603;HY-121965;(1->2)-beta-D-glucopyranan;133947-06-5;Beta-d-glucose, anhydrous;NCGC00263446-02;G0047;-D-glucose;Goldsugar;AE-562/43459286;Staleydex 111;EINECS 207-756-2;Oxidase, glucose;136760-05-9;DB02379;A-D-Glucopyranose;CPC hydrate;54724-00-4;SCHEMBL25601;Cerelose 2001;DA-62543;CHEBI:24278;?-D-GLUCOSE;glucose oxidase from aspergillus niger;100 U/mg;

标识符

MDL:
MFCD00148912
InChIKey:
WQZGKKKJIJFFOK-VFUOTHLCSA-N
Inchi:
1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O

莨菪亭(492-61-5)物化性质

实验特性

  • LogP : -3.22140
  • PSA : 110.38000
  • Merck : 4459
  • 折射率 : 1.635
  • 沸点 : 410.8 °C at 760 mmHg
  • 熔点 : 156-158 °C
  • 闪点 : 202.2 °C
  • 颜色与性状 : 白色粉末
  • 密度 : 1.732

计算特性

  • 精确分子量 : 180.06300
  • 氢键供体数量 : 5
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 1
  • 同位素质量 : 180.063388
  • 重原子数量 : 12
  • 复杂度 : 151
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -2.6
  • 拓扑分子极性表面积 : 110

莨菪亭(492-61-5)安全信息

莨菪亭(492-61-5)国际标准相关数据

EINECS:
207-756-2

莨菪亭(492-61-5)合成路线

合成路线:1 步
反应条件:
参考文献:
New thiophene and flavonoid from Tagetes minuta leaves growing in Saudi Arabia
Al-Musayeib, Nawal M.; Mohamed, Gamal A.; Ibrahim, Sabrin R. M.; Ross, Samir A., Molecules, 2014, 19(3), 2819-2828

莨菪亭(492-61-5)相关文献

莨菪亭(492-61-5)参考资料

Reaxys RN:
1281607
Beilstein:
1(4)4306
PubChem CID:

莨菪亭(492-61-5) MSDS

基础信息


Section 1. Chemical Product and Company Identification
    beta-D(+)Glucose
    Common Name/
    Trade Name
    beta-D(+)Glucose

Section 4. First Aid Measures
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least
    Eye Contact
    15 minutes. Cold water may be used. Get medical attention if irritation occurs.
    Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
    Skin Contact
    Cold water may be used.
    Serious Skin Contact        Not available.    
    If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
    Inhalation
    medical attention.
    Not available.
    Serious Inhalation
    Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
    Ingestion
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Not available.
    Serious Ingestion

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Not available.
    Flash Points
    Not available.
    Flammable Limits
    These products are carbon oxides (CO, CO2).
    Products of Combustion
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards in
    Risks of explosion of the product in presence of static discharge: Not available.
    Presence of Various
    Substances
    SMALL FIRE: Use DRY chemical powder.
    Fire Fighting Media
    LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    and Instructions
    As with most organic solids, fire is possible at elevated temperatures
    Special Remarks on
    Fire Hazards
    Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust
    Special Remarks on
    explosion hazard.
    Explosion Hazards

Section 6. Accidental Release Measures
    Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading
    Small Spill
    water on the contaminated surface and dispose of according to local and regional authority requirements.
    Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on
    Large Spill
    the contaminated surface and allow to evacuate through the sanitary system.
    beta-D(+)Glucose

Section 7. Handling and Storage
    Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
    Precautions
    breathe dust. Keep away from incompatibles such as oxidizing agents.
    Keep container tightly closed. Keep container in a cool, well-ventilated area.
    Storage

Section 8. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
    Engineering Controls
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.    
    Personal Protection in Case Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used to
    avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE
    of a Large Spill
    handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Solid. (Crystalline powder.)        Not available.    
    Physical state and        O dor    
    appearance
    Not available.
    Taste
    180.16 g/mole
    Molecular Weight
    White.
    Color
    Not available.
    pH (1% soln/water)
    Not available.
    Boiling Point
    Not available.
    Melting Point
    Not available.
    Critical Temperature
    Not available.
    Specific Gravity
    Not applicable.
    Vapor Pressure
    Not available.
    Vapor Density
    Not available.
    Volatility
    Not available.
    Odor Threshold
    Not available.
    Water/Oil Dist. Coeff.
    Not available.
    Ionicity (in Water)
    See solubility in water.
    Dispersion Properties
    Partially soluble in cold water.
    Solubility
    Solubility in Water: 10% @ 25 deg. C.

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Not available.
    Instability Temperature
    Conditions of Instability Excess heat, incompatible materials
    Incompatibility with various Reactive with oxidizing agents.
    substances
    beta-D(+)Glucose
    Not available.
    Corrosivity
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Will not occur.
    Polymerization

Section 11. Toxicological Information
    Inhalation. Ingestion.
    Routes of Entry
    LD50: Not available.
    Toxicity to Animals
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
    Other Toxic Effects on
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Not available.
    Special Remarks on
    Chronic Effects on Humans
    Acute Potential Health Effects:
    Special Remarks on other
    Skin: May cause skin irritation.
    Toxic Effects on Humans
    Eyes: Dust may cause eye irritation.
    Inhalation: Dust may cause respiratory tract irritation.
    Ingestion: Expecte to be a low hazard.

Section 12. Ecological Information
    Not available.
    Ecotoxicity
    Not available.
    BOD5 and COD
    Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    arise.
    The product itself and its products of degradation are not toxic.
    Toxicity of the Products
    of Biodegradation
    Not available.
    Special Remarks on the
    Products of Biodegradation

Section 13. Disposal Considerations
    Waste Disposal        Waste must be disposed of in accordance with federal, state and local environmental control    
    regulations.

Section 14. Transport Information
    Not a DOT controlled material (United States).
    DO T Cl assi fi cati on
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    beta-D(+)Glucose
    DO T (Pi ctograms)

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: beta-D(+)Glucose
    Federal and State
    Regulations
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    California
    cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No.    
    207-756-2).
    Canada: Listed on Canadian Non-Domestic Substance List (NDSL).
    Canada: Not listed on Canadian Domestic Substance List (DSL).
    China: Not listed on National Inventory.
    Japan: Not listed on National Inventory (ENCS).
    Korea: Not listed on National Inventory (KECI).
    Philippines: Not listed on National Inventory (PICCS).
    Australia: Not listed on AICS.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    This product is not classified according Not applicable.
    DSCL (EEC)
    to the EU regulations.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG(Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    beta-D(+)Glucose
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A