Propane-1,2,3-Triyl Trihexanoate 三己酸甘油酯

CAS 621-70-5 MFCD00042905

化学结构图

621-70-5
SMILES: CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC

化学属性

Mol. FormulaC21H38O6
Mol. Weight386.52
Density0.98 g/mL(lit.)
Refractive index1.4410 to 1.4440
Boiling Point244 °C at 28 mmHg
Melting Point-60 °C

别名和识别编码

Chemical NamePropane-1,2,3-Triyl Trihexanoate
Synonym Tricaproin {LY} Tricaproin {} {LY} Tricaproin {} {} {LY} Tricaproin {} {} {} {LY} Tricaproin {} {} {} {} {LY} Tricaproin {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tricaproin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tricaproin
MDL NumberMFCD00042905
CAS Number621-70-5
Beilstein Registry Number2(4)926
EC Number210-701-5
PubChem Substance ID12131
Reaxys-RN1806732
Chemical Name Translation三己酸甘油酯
Wiswesser Line Notation5VO1YOV5&1OV5
LabNetwork Molecule IDLN01303028
InChIInChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3
Canonical SMILESCCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Biochemicals and Reagents, Glycerolipids, Triacylglycerols, 脂类
  • {SNA} Biochemicals and Reagents, Glycerolipids, Lipids, Triacylglycerols
  • {SNA} Glycerolipids, Triacylglycerols, 生化试剂, 脂类

相关文献及参考

  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: IV/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/6 Title: Static Dielectric Constants

安全信息

RTECSMB2700000
WGK Germany1
Personal Protective Equipment Eyeshields, Gloves
Precautionary statements
  • P301+P312+P330
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
GHS Symbol
Signal word Warning 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 122 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   APSCAX Acta Physiologica Scandinavica.  (Karolinska Institutet, S-10401
   Stockholm, Sweden) V.1-    1940-  Volume(issue)/page/year: 40,338,1957

Hazard statements
  • H302+H312+H332
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Glycerolipids - Lipids
  5. Triacylglycerols - Glycerolipids
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Glycerolipids - Lipids
  5. Triacylglycerols - Glycerolipids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C12 to C63 - Esters

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