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Substance Name: Tris(3,5-xylenyl)phosphate
RN: 25653-16-1
UNII: F9ZL29261S
InChIKey: LLPMAOBOEQFPRE-UHFFFAOYSA-N

Molecular Formula

  • C24-H27-O4-P

Molecular Weight

  • 410.4473
 
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Names and Synonyms

Name of Substance

  • Tris(3,5-xylenyl)phosphate

Synonyms

  • 3,5-Xylenol, phosphate (3:1)
  • EINECS 247-165-7
  • HSDB 3912
  • NSC 66515
  • Phenol, 3,5-dimethyl-, phosphate (3:1)
  • Phosphoric acid, tris(3,5-dimethylphenyl) ester
  • Tri(3,5-xylenyl)phosphate
  • UNII-F9ZL29261S

Systematic Names

  • Phenol, 3,5-dimethyl-, phosphate (3:1)
  • Phenol, 3,5-dimethyl-, phosphate (3:1) (9CI)
  • Tris(3,5-xylyl) phosphate

Registry Numbers

CAS Registry Number

  • 25653-16-1

FDA UNII

  • F9ZL29261S

System Generated Number

  • 0025653161

Structure Descriptors

InChI

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

InChIKey

LLPMAOBOEQFPRE-UHFFFAOYSA-N

Smiles

P(=O)(Oc1cc(cc(c1)C)C)(Oc1cc(cc(c1)C)C)Oc1cc(cc(c1)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.980 (none)   EST
Water Solubility 0.89 mg/L 25 EXP
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 7.47E-11 cm3/molecule-sec 25 EST

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