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Substance Name: p-Acetylphenyl acetate
RN: 13031-43-1
UNII: EO1XK390JF
InChIKey: SMIOEQSLJNNKQF-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C10-H10-O3

Molecular Weight

  • 178.186
 
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Names and Synonyms

Name of Substance

  • p-Acetylphenyl acetate

Synonyms

  • AI3-10544
  • EINECS 235-894-3
  • NSC 41974
  • UNII-EO1XK390JF

Systematic Names

  • Ethanone, 1-(4-(acetyloxy)phenyl)-
  • p-Acetylphenyl acetate

Registry Numbers

CAS Registry Number

  • 13031-43-1

FDA UNII

  • EO1XK390JF

System Generated Number

  • 0013031431

Structure Descriptors

InChI

1S/C10H10O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-6H,1-2H3

InChIKey

SMIOEQSLJNNKQF-UHFFFAOYSA-N

Smiles

CC(=O)c1ccc(OC(=O)C)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.29 (none)   EXP
Water Solubility 4450 mg/L 25 EST
Vapor Pressure 5.86E-03 mm Hg 25 EST
Henry's Law Constant 1.18E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.98E-12 cm3/molecule-sec 25 EST

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