chempirical

Tris(2-ethylhexyl) phosphate

C24H51O4PCAS 78-42-2434.64 g/mol

Open in Covalent MOL file
OPOOO
Phosphate

Properties

Molecular formula
C24H51O4P
Molar mass
434.64 g/mol
Exact mass
434.3525 Da
Density
0.924 g/mL (at 26 °C)
Melting point
−74 °C
Boiling point
215 °C (at 4 Torr)
logP
8.79Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
21

Identifiers

CAS number
78-42-2
SMILES
CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
InChIKey
GTVWRXDRKAHEAD-UHFFFAOYSA-N
InChI
InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3

Weigh it out

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

Names and synonyms

11 names
  • Phosphoric acid, tris(2-ethylhexyl) ester
  • TOF
  • Flexol TOF
  • Trioctyl phosphate
  • Tri(2-ethylhexyl) phosphate
  • Disflamoll TOF
  • TEHP
  • TOP
  • Reomol TOF
  • NSC 407921
  • Durad TOP

Work with Tris(2-ethylhexyl) phosphate

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

Di-(2-ethylhexyl)phosphoric acid298-07-767 % similar 2-Ethylhexyl diphenyl phosphate1241-94-766 % similar 2-Ethylhexyl (2-ethylhexyl)phosphonate14802-03-061 % similar Di(2-ethylhexyl)ether10143-60-961 % similar Silicic acid (H4sio4) tetrakis(2-ethylhexyl) ester115-82-253 % similar Bis(2-ethylhexyl) phosphite3658-48-853 % similar 2-Ethylhexyl acetate103-09-350 % similar Tributyl phosphate126-73-850 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook