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55864-04-5

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Basic Information
CAS No.: 55864-04-5
Name: Phosphoric acid, 4-(1-methylethyl)phenyl diphenyl ester
Article Data: 3
Molecular Structure:
Molecular Structure of 55864-04-5 (Phosphoric acid, 4-(1-methylethyl)phenyl diphenyl ester)
Formula: C21H21O4P
Molecular Weight: 368.369
Synonyms: Diphenyl p-isopropylphenyl phosphate;Phosphoric acid,4-(1-methylethyl)phenyl diphenyl ester;p-isopropylphenyl diphenyl phosphate;p-Cumenyl phenyl phosphate;p-Cumenyl phenyl phosphate (7CI);diphenyl 4-isopropylphenyl phosphate;4-isopropylphenyl diphenyl phosphate;
Density: 1.196g/cm3
Boiling Point: 422.4°Cat760mmHg
Flash Point: 222.7°C
Safety: Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of POx.
PSA: 54.57000
LogP: 6.45490
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    4-Isopropylphenyl diphenyl phosphate

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Chemistry

Product Name: p-Isopropylphenyl diphenyl phosphate (CAS NO.55864-04-5)


Molecular Formula: C21H21O4P
Molecular Weight: 368.39g/mol
Mol File: 55864-04-5.mol
Boiling point: 422.4 °C at 760 mmHg
Flash Point: 222.7 °C
Density: 1.196 g/cm3
Surface Tension: 44.4 dyne/cm
Enthalpy of Vaporization: 65.04 kJ/mol
Vapour Pressure: 5.94E-07 mmHg at 25°C
XLogP3-AA: 5.7
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of p-Isopropylphenyl diphenyl phosphate (CAS NO.55864-04-5):
  IUPAC Name: diphenyl (4-propan-2-ylphenyl) phosphate
  Canonical SMILES: CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
  InChI: InChI=1S/C21H21O4P/c1-17(2)18-13-15-21(16-14-18)25-26(22,23-19-9-5-3-6-10-19)24-20-11-7-4-8-12-20/h3-17H,1-2H3 
  InChIKey: JUHFQCKQQLMGAB-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral > 10gm/kg (10000mg/kg)   Toxicology and Applied Pharmacology. Vol. 41, Pg. 291, 1977.

Safety Profile

Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of POx.

Specification

 p-Isopropylphenyl diphenyl phosphate ,its CAS NO. is 55864-04-5,the synonyms is BRN 2478291 ; Diphenyl p-isopropylphenyl phosphate ; Phosphoric acid, 4-(1-methylethyl)phenyl diphenyl ester ; p-Cumenyl phenyl phosphate (7CI) .