chempirical

Isopropylphenyl diphenyl phosphate

C21H21O4PCAS 28108-99-8368.37 g/mol

Open in Covalent MOL file
OPOOO
Phosphate

Properties

Molecular formula
C21H21O4P
Molar mass
368.37 g/mol
Exact mass
368.1177 Da
Boiling point
220–230 °C
Flash point
93.3 °C
Water solubility
< 1 g/L (25 °C)
logP
6.45Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
28108-99-8
SMILES
CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChIKey
JJXNVYMIYBNZQX-UHFFFAOYSA-N
InChI
InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Phosphoric acid, (1-methylethyl)phenyl diphenyl ester
  • Diphenyl isopropylphenyl phosphate
  • Phosflex 31L
  • IPPP
  • Monoisopropyltriphenyl phosphate
  • Cumyl diphenyl phosphate
  • mITP

Work with Isopropylphenyl diphenyl 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

Cresyl diphenyl phosphate26444-49-559 % similar Triphenyl phosphate115-86-658 % similar tert-Butylphenyl diphenyl phosphate56803-37-355 % similar Resorcinol bis(diphenyl phosphate)57583-54-751 % similar Tetraphenyl bisphenol A bisphosphate5945-33-548 % similar Bis(1-methylethyl)benzene25321-09-941 % similar 2-Ethylhexyl diphenyl phosphate1241-94-739 % similar 1-Iodo-2-isopropylbenzene19099-54-838 % similar

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

Same formula

Tricresyl phosphate78-30-8 Tri-p-cresyl phosphate78-32-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook