alpha-CYCLODEXTRIN α-环糊精

CAS 10016-20-3 MFCD00078207

化学结构图

10016-20-3
SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O

化学属性

Mol. FormulaC36H60O30
Mol. Weight973
Melting Point>278
Density1.624
TSCAYes
SolubilitySoluble in water (145 mg/ml at 20 °C). Insoluble in ethanol, and acetone.
Boiling Point1410.8°C/760mmHg
Flash Point807.1°C

别名和识别编码

Chemical Nameα-Cyclodextrin, 98%, reference material
Synonym {} Cyclohexaamylose alpha-cyclodextrin cyclohexaamylose cyclomaltohexaose
MDL NumberMFCD00078207
PubChem Substance ID444913
Beilstein Registry Number79627
EC Number233-007-4
CAS Number10016-20-3
Merck Number2718
Chemical Name Translationα-环糊精
InChIKeyHFHDHCJBZVLPGP-JSPYPFAESA-N
InChIInChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
LabNetwork Molecule IDLN01343797
Canonical SMILESOC[C@@H](O[C@@](O[C@]([C@@H]1O)([H])[C@H](O[C@@](O[C@]([C@@H]2O)([H])[C@H](O[C@@](O[C@@]3([H])[C@@H]4O)([H])[C@@H]2O)CO)([H])[C@@H]1O)CO)([H])[C@@H]5O)[C@](O[C@](O[C@H](CO)[C@](O[C@](O[C@H](CO)[C@](O[C@](O[C@@H]3CO)([H])[C@@H]4O)([H])[C@@H]6O)([H])[C@@H]6O)([H])[C@@H]7O)([H])[C@@H]7O)([H])[C@@H]5O
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分类

  • {uni_hamburg}
  • {SNA} Analytical Standards, EP Standards, EP Standards A - B, Pharmacopeia Metrological Institutes Standards, 分析/色谱
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards, USP Standards, USP Standards A - B
  • {SNA} Alcohols, Building Blocks, C11 to C30+, C22 to C40+, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds
  • {SNA} Chelation/Complexation Compounds, Chemical Synthesis, Cyclodextrins, Synthetic Reagents
  • {SNA} Alphabetical Listings,
  • {SNA}
  • {SNA} Alphabetical Listings, C-D, Certified Food Grade P

产品应用

  • A naturally occuring clathrate.

相关文献及参考

  • Merck: 14,2718 Beilstein: 19,V,12,789
  • Short: III/5b
  • Merck: 14,2718
  • Short: EINECS

安全信息

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
WGK Germany3
Signal word Warning
GHS Symbol
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
RTECSGU2292000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 788 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AJPAA4 American Journal of Pathology.  (Lippincott/Harper, Journal
   Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740)  V.1-    1925-
   Volume(issue)/page/year: 83,367,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 26,287,1983

Hazard statements
Storage condition 2-8°C

其他信息

  • 水溶解度为 14.5g /100ml ,不溶于乙醇,乙醚等有机溶剂。熔融时开始分解,是一种天然包接剂。

系列性分类


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