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Substance Name: Diethyl 2-benzylpropanedioate
RN: 607-81-8
UNII: 40Y0X0XN6P
InChIKey: ICZLTZWATFXDLP-UHFFFAOYSA-N

Molecular Formula

  • C14-H18-O4

Molecular Weight

  • 250.292
 
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Names and Synonyms

Name of Substance

  • Diethyl 2-benzylpropanedioate

Synonyms

  • AI3-01359
  • Benzylmalonic acid diethyl ester
  • Diethyl benzylmalonate
  • EINECS 210-142-7
  • Malonic acid, 2-benzyl-, diethyl ester
  • Malonic acid, benzyl-, diethyl ester
  • NSC 41169
  • NSC 8720
  • Propanedioic acid, (phenylmethyl)-, diethyl ester
  • UNII-40Y0X0XN6P

Systematic Names

  • Diethyl benzylmalonate
  • Propanedioic acid, (phenylmethyl)-, diethyl ester
  • Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester

Registry Numbers

CAS Registry Number

  • 607-81-8

FDA UNII

  • 40Y0X0XN6P

Other Registry Number

  • 581796-75-0

System Generated Number

  • 0000607818

Structure Descriptors

InChI

1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

InChIKey

ICZLTZWATFXDLP-UHFFFAOYSA-N

Smiles

c1ccccc1CC(C(=O)OCC)C(=O)OCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 300 deg C   EXP
log P (octanol-water) 2.76 (none)   EXP
Water Solubility 104 mg/L 25 EST
Vapor Pressure 1.64E-03 mm Hg 25 EST
Henry's Law Constant 7.88E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.55E-12 cm3/molecule-sec 25 EST

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