chempirical

Tri-P-cresyl phosphate

C21H21O4PCAS 78-32-0368.37 g/mol

Open in Covalent MOL file
OPOOO
Phosphate

Properties

Molecular formula
C21H21O4P
Molar mass
368.37 g/mol
Exact mass
368.1177 Da
Density
1.247 g/mL (at 25 °C)
Melting point
77–78 °C
Boiling point
244 °C (at 3.5 Torr)
logP
6.26Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
78-32-0
SMILES
Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1
InChIKey
BOSMZFBHAYFUBJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Phosphoric acid, tris(4-methylphenyl) ester
  • Phosphoric acid, tri-p-tolyl ester
  • p-Tolyl phosphate (C7H7O)3PO
  • Tri-p-tolyl phosphate
  • Tris(p-methylphenyl) phosphate
  • Tris(p-cresyl) phosphate
  • Tris(4-methylphenyl) phosphate
  • NSC 2181

Work with Tri-P-cresyl 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

Triphenyl phosphate115-86-656 % similar 1,1′-Oxybis[4-methylbenzene]1579-40-450 % similar Bisphenol A bis(diphenyl phosphate)5945-33-548 % similar Resorcinol bis(diphenyl phosphate)57583-54-748 % similar 4-Methylanisole104-93-846 % similar P-Xylene106-42-343 % similar 4-Methylphenyl acetate140-39-642 % similar 1-(Difluoromethoxy)-4-methylbenzene1583-83-140 % similar

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

Same formula

Tricresyl phosphate78-30-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook