Stearin

C57H110O6CAS 555-43-1891.50 g/mol

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Ester

Properties

Molecular formula
C57H110O6
Molar mass
891.50 g/mol
Exact mass
890.8302 Da
Density
0.8559 g/mL (at 90 °C)
Melting point
55 °C
Water solubility
insoluble
logP
18.77Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
53

Hazards

Not classified as hazardous under GHS by 198 ECHA notifiers. Aggregated from 198 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
555-43-1
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChIKey
DCXXMTOCNZCJGO-UHFFFAOYSA-N
InChI
InChI=1S/C57H110O6/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/h54H,4-53H2,1-3H3

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Names and synonyms

42 names · show all
  • Octadecanoic acid, 1,1′,1′′-(1,2,3-propanetriyl) ester
  • Stearin, tri-
  • Octadecanoic acid, 1,2,3-propanetriyl ester
  • Glyceryl tristearate
  • Tristearin
  • Glycerol tristearate
  • Stearic acid triglyceride
  • Stearic acid triglycerin ester
  • Trioctadecanoin
  • Stearic triglyceride
  • Glycerol trioctadecanoate
  • Stearoyl triglyceride
  • Spezialfett 118
  • Dynasan 118
  • Glycowax S 932
  • Hardened oil
  • Tristearoylglycerol
  • Edenor NHTl
  • Glycerine tristearate
  • Rikemal VT
  • Glycerin tristearate
  • SSS
  • Triglyceride StStSt
  • Prisorine 2041
  • Loxiol EP 218
  • Edenor NHTi
  • Glyceryl trioctadecanoate
  • Daiwax STG
  • Glycolube TS
  • Coatex 21
  • Rikemal VT 50
  • Triglyceride SSS
  • Tegin BL 150V
  • Pationic 919
  • Ligalub GT
  • Radia 7512
  • A 3D
  • Esteride G-S
  • PPM 17000
  • Dynasan D118
  • 1,2,3-Propanetriyltris(octadecanoate)
  • 2,3-Di(octadecanoyloxy)propyl octadecanoate

Work with Stearin

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

Axona538-23-8100 % similar Trilaurin538-24-9100 % 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

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