chempirical

Pentaerythrityl tetrastearate

C77H148O8CAS 115-83-31202.02 g/mol

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Ester

Properties

Molecular formula
C77H148O8
Molar mass
1202.02 g/mol
Exact mass
1201.1174 Da
logP
25.19Crippen estimate
Polar surface area
105.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
72

Identifiers

CAS number
115-83-3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChIKey
OCKWAZCWKSMKNC-UHFFFAOYSA-N
InChI
InChI=1S/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

49 names · show all
  • Octadecanoic acid, 1,1′-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester
  • Stearic acid, neopentanetetrayl ester
  • Pentaerythritol, tetrastearate
  • Octadecanoic acid, 2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester
  • Stearic acid, tetraester with pentaerythritol
  • Cyclochem PETS
  • Nissan unister H 476
  • Deoflow 821
  • Hexawax
  • Unister H 476
  • Loxiol VP 861
  • VPG 861
  • Aflux 54
  • Loxiol HOB 7119
  • EW 400
  • Loxial 7119
  • Loxiol P 861
  • Loxiol VPG 861
  • Glycolube P(ETS)
  • Rikester EW 440A
  • Glycolube P
  • EW 440A
  • WEP 6
  • Nissan electol WEP 6
  • Loxiol 1206
  • H 476
  • Loxiol EP 8578
  • EP 8578
  • 3V
  • PETS
  • WB 222
  • PETS-G
  • RH 313C
  • EW 400 (mold releasing agent)
  • Rikester EW 440AT
  • P 861
  • D 821
  • PETS-AHS
  • Unister F 538
  • Loxiol VPG 881
  • EW 440
  • R 0019
  • Loxiol P 861/3.5
  • P 861/3.5
  • Faci L 349
  • Finalux G 748
  • T 0104
  • Laiyinsan 54
  • Laiyinsan A 54

Work with Pentaerythrityl tetrastearate

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

Ao 412S29598-76-371 % similar Glycol distearate627-83-869 % similar Butyl laurate106-18-367 % similar Ethyl heptanoate106-30-967 % similar Ethyl octanoate106-32-167 % similar Ethyl dodecanoate106-33-267 % similar Butyl myristate110-36-167 % similar Ethyl decanoate110-38-367 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook