chempirical

Tricresyl phosphate

C21H21O4PCAS 78-30-8368.37 g/mol

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OPOOO
Phosphate

Properties

Molecular formula
C21H21O4P
Molar mass
368.37 g/mol
Exact mass
368.1177 Da
Density
1.1955 g/mL (at 20 °C)
Melting point
11 °C
Boiling point
410 °C
logP
6.26Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
78-30-8
SMILES
Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C
InChIKey
YSMRWXYRXBRSND-UHFFFAOYSA-N
InChI
InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3

Weigh it out

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

Names and synonyms

16 names · show all
  • Phosphoric acid, tris(2-methylphenyl) ester
  • Phosphoric acid, tri-o-tolyl ester
  • TOCP
  • Tri-o-cresyl phosphate
  • Tri-o-tolyl phosphate
  • TOTP
  • o-Cresyl phosphate
  • Tris(o-tolyl) phosphate
  • Phosflex 179C
  • Tris(o-methylphenyl) phosphate
  • TOKF
  • Tris(o-cresyl) phosphate
  • Tris(2-tolyl) phosphate
  • NSC 438
  • P(o-Tolyl)3
  • Tris(2-methylphenyl) phosphate

Work with Tricresyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylanisole578-58-550 % similar Tris(2-methylphenyl) phosphite2622-08-448 % similar Triphenyl phosphate115-86-646 % similar 2-Methylphenyl acetate533-18-645 % similar 2-(O-Tolyloxy)aniline3840-18-442 % similar O-Xylene95-47-642 % similar Resorcinol bis(diphenyl phosphate)57583-54-741 % similar (2-Methylphenoxy)acetic acid1878-49-541 % similar

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

Same formula

Tri-P-cresyl phosphate78-32-0

Elsewhere

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