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Substance Name: Diethylene glycol monobenzoate
RN: 20587-61-5
UNII: U8NT2B98P1
InChIKey: DNUPYEDSAQDUSO-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O4

Molecular Weight

  • 210.228
 
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Names and Synonyms

Name of Substance

  • Diethylene glycol monobenzoate

Synonyms

  • AI3-13034
  • Diethylene glycol benzoate
  • Diethylene glycol monobenzoate
  • EINECS 243-895-5
  • Ethanol, 2,2'-oxybis-, monobenzoate
  • NSC 71576
  • UNII-U8NT2B98P1

Systematic Names

  • 2-(2-Hydroxyethoxy)ethyl benzoate
  • Ethanol, 2-(2-(benzoyloxy)ethoxy)-

Registry Numbers

CAS Registry Number

  • 20587-61-5

FDA UNII

  • U8NT2B98P1

System Generated Number

  • 0020587615

Structure Descriptors

InChI

1S/C11H14O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h1-5,12H,6-9H2

InChIKey

DNUPYEDSAQDUSO-UHFFFAOYSA-N

Smiles

O=C(OCCOCCO)c1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.16 (none)   EXP
Water Solubility 1.28E+04 mg/L 25 EST
Vapor Pressure 7.29E-06 mm Hg 25 EST
Henry's Law Constant 2.62E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.06E-11 cm3/molecule-sec 25 EST

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