Axona

C27H50O6CAS 538-23-8470.69 g/mol

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Ester

Properties

Molecular formula
C27H50O6
Molar mass
470.69 g/mol
Exact mass
470.3607 Da
Density
0.95 g/mL
Melting point
10 °C
Boiling point
233 °C
Flash point
177.2 °C
Water solubility
< 1 g/L (22.2 °C)
logP
7.07Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
23

Hazards

Not classified as hazardous under GHS by 259 ECHA notifiers. Aggregated from 259 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
538-23-8
SMILES
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChIKey
VLPFTAMPNXLGLX-UHFFFAOYSA-N
InChI
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3

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Names and synonyms

42 names · show all
  • Paester 9306
  • Hexalan
  • Poem M 2
  • Hest TC
  • Tricaprilin
  • Emalex KTG
  • Delios 888
  • Caprylic triglyceride
  • Myritol 888
  • Miglyol 808
  • Stelliesters 55/45
  • Stelliesters MCT 55/45
  • 2,3-Di(octanoyloxy)propyl octanoate
  • CER 0001
  • Propane-1,2,3-triyl trioctanoate
  • Octanoic acid, 1,1′,1′′-(1,2,3-propanetriyl) ester
  • Octanoin, tri-
  • Octanoic acid, 1,2,3-propanetriyl ester
  • Tricaprylin
  • Trioctanoin
  • RATO
  • Tricaprylic glyceride
  • Glyceryl trioctanoate
  • Glycerol tricaprylate
  • Glycerol trioctanoate
  • Octanoic acid triglyceride
  • Trioctanoylglycerol
  • Caprylic acid triglyceride
  • Glycerin tricaprylate
  • Tricaprylyl glycerin
  • Tricapryloylglycerol
  • Panacet 800
  • Glyceryl tricaprylate
  • Glycerin trioctanoate
  • Sefsol 810
  • Trioctanoylglyceride
  • Captex 8000
  • NI 01
  • Coconad RK
  • Rilanit GTC
  • Trivent OCG
  • NSC 4059

Work with Axona

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trilaurin538-24-9100 % similar Stearin555-43-1100 % similar Tripalmitin555-44-2100 % similar Trimyristin555-45-3100 % similar Tricaprin621-71-6100 % similar Triolein122-32-785 % similar (+-)-1,2-Dipalmitoylglycerol40290-32-279 % similar 1,2-Dioctanoyl-sn-glycerol60514-48-979 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia