Tri-p-cresyl phosphate

C₂₁H₂₁O₄PCAS 78-32-0368.37 g/mol

Open in Covalent MOL file

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)
Flash point: 210 °C (closed cup)
Water solubility: 74 µg/L (24 °C)
logP: 6.26Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 015-016-00-3), via PubChem.

Precautionary statements

P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, P501

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 Trixylenyl phosphate25155-23-152 % similar 1,1′-Oxybis[4-methylbenzene]1579-40-450 % similar Cresyl diphenyl phosphate26444-49-548 % similar Tetraphenyl bisphenol A bisphosphate5945-33-548 % similar Resorcinol bis(diphenyl phosphate)57583-54-748 % similar 4-Methylanisole104-93-846 % similar P-Xylene106-42-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropylphenyl diphenyl phosphate28108-99-8 Tricresyl phosphate78-30-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook