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Substance Name: Tris(2,4-xylenyl)phosphate
RN: 3862-12-2
InChIKey: KOWVWXQNQNCRRS-UHFFFAOYSA-N

Molecular Formula

  • C24-H27-O4-P

Molecular Weight

  • 410.4473
 
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Names and Synonyms

Name of Substance

  • Tris(2,4-xylenyl)phosphate

Synonyms

  • 0-06-00-00488 (Beilstein Handbook Reference)
  • 2,4-Dimethylphenol phosphate (3:1)
  • 2,4-Xylenol, phosphate (3:1)
  • 2,4-Xylyl phosphate, (C8H9O)3PO
  • BRN 1895059
  • HSDB 3908
  • NSC 78488
  • Phenol, 2,4-dimethyl-, phosphate (3:1)
  • Phosphoric acid, tris(2,4-dimethylphenyl) ester
  • Tri(2,4-dimethylphenyl) phosphate
  • Tri(2,4-xylenyl)phosphate
  • Tri-2,4-xylyl phosphate
  • Tris(2,4-xylenyl) phosphate

Systematic Names

  • 2,4-Xylenol, phosphate (3:1) (8CI)
  • 2,4-Xylyl phosphate (7CI)
  • Phenol, 2,4-dimethyl-, 1,1',1''-phosphate
  • Phenol, 2,4-dimethyl-, phosphate (3:1)

Registry Numbers

CAS Registry Number

  • 3862-12-2

System Generated Number

  • 0003862122

Structure Descriptors

InChI

1S/C24H27O4P/c1-16-7-10-22(19(4)13-16)26-29(25,27-23-11-8-17(2)14-20(23)5)28-24-12-9-18(3)15-21(24)6/h7-15H,1-6H3

InChIKey

KOWVWXQNQNCRRS-UHFFFAOYSA-N

Smiles

Cc1ccc(c(c1)C)OP(=O)(Oc2ccc(cc2C)C)Oc3ccc(cc3C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral > 1gm/kg (1000mg/kg)   Toxicology and Applied Pharmacology. Vol. 41, Pg. 291, 1977.
rabbit LD50 skin > 7900mg/kg (7900mg/kg)   Toxicology and Applied Pharmacology. Vol. 41, Pg. 291, 1977.
rat LD50 oral > 15800mg/kg (15800mg/kg)   Toxicology and Applied Pharmacology. Vol. 41, Pg. 291, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.980 (none)   EST
Water Solubility 4.00E-04 mg/L 25 EST
Vapor Pressure 2.06E-08 mm Hg 25 EST
Henry's Law Constant 7.19E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.01E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.