chempirical

Triolein

C57H104O6CAS 122-32-7885.45 g/mol

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AlkeneEster

Properties

Molecular formula
C57H104O6
Molar mass
885.45 g/mol
Exact mass
884.7833 Da
Density
0.915 g/mL (at 15 °C)
Melting point
−32 °C
Boiling point
235–240 °C (at 15 Torr)
logP
18.10Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
50

Identifiers

CAS number
122-32-7
SMILES
CCCCCCCC/C=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=CCCCCCCCC)OC(=O)CCCCCCC/C=CCCCCCCCC
InChIKey
PHYFQTYBJUILEZ-IUPFWZBJSA-N
InChI
InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-

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Names and synonyms

29 names · show all
  • 9-Octadecenoic acid (9Z)-, 1,1′,1′′-(1,2,3-propanetriyl) ester
  • Olein, tri-
  • 9-Octadecenoic acid (Z)-, 1,2,3-propanetriyl ester
  • 9-Octadecenoic acid (9Z)-, 1,2,3-propanetriyl ester
  • Emery oleic acid ester 2230
  • Glycerol trioleate
  • Glyceryl trioleate
  • Raoline
  • Oleic acid triglyceride
  • Trioleoylglycerol
  • Aldo TO
  • Emery 2423
  • Oleyl triglyceride
  • Glycerin trioleate
  • Glycerol triolein
  • Glyceryl-1,2,3-trioleate
  • Trioleoylglyceride
  • Oleic triglyceride
  • Estol 1433
  • Sn-Glyceryl trioleate
  • Emerest 2423
  • Triglyceride OOO
  • Kemester 1000
  • Actor LO 1
  • Kaolube 190
  • Edenor NHTi-G
  • Radia 7363
  • OOO triacylglycerol
  • Palmester 4010

Work with Triolein

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Linolein537-40-692 % similar Axona538-23-885 % similar Trilaurin538-24-985 % similar Tripalmitin555-44-285 % similar Tricaprin621-71-685 % similar Propylene glycol dioleate105-62-474 % similar (±)-1,2-Dipalmitoylglycerol40290-32-269 % similar 1,2-Dioctanoyl-sn-glycerol60514-48-969 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook