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Substance Name: Butanedioic acid, diethyl ester
RN: 123-25-1
UNII: ELP55C13DR
InChIKey: DKMROQRQHGEIOW-UHFFFAOYSA-N

Note

  • Carboxylesterase substrate.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H14-O4

Molecular Weight

  • 174.1946
 
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Names and Synonyms

Name of Substance

  • Butanedioic acid, diethyl ester
  • Diethyl butanedioate
  • Diethyl succinate

Synonyms

  • 4-02-00-01914 (Beilstein Handbook Reference)
  • AI3-00682
  • BRN 0907645
  • Butanedioic acid, diethyl ester
  • Clorius (VAN)
  • Diethyl butanedioate
  • Diethyl ethanedicarboxylate
  • Diethyl succinate
  • Diethylester kyseliny jantarove
  • Diethylester kyseliny jantarove [Czech]
  • EINECS 204-612-0
  • Ethyl succinate
  • FEMA No. 2377
  • NSC 8875
  • UNII-ELP55C13DR

Systematic Names

  • Butanedioic acid, 1,4-diethyl ester
  • Butanedioic acid, diethyl ester
  • Diethyl succinate
  • Succinic acid, diethyl ester

Superlist Name

  • Diethyl succinate

Registry Numbers

CAS Registry Number

  • 123-25-1

FDA UNII

  • ELP55C13DR

Other Registry Number

  • 1253690-20-8

System Generated Number

  • 0000123251

Structure Descriptors

InChI

InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3

InChIKey

DKMROQRQHGEIOW-UHFFFAOYSA-N

Smiles

CCOC(=O)CCC(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 8530mg/kg (8530mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.10E+01 deg C   EXP
Boiling Point 217.7 deg C   EXP
log P (octanol-water) 1.2 (none)   EXP
Water Solubility 1.91E+04 mg/L 25 EXP
Vapor Pressure 0.0439 mm Hg 25 EXP
Henry's Law Constant 5.27E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.04E-12 cm3/molecule-sec 25 EST

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