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Substance Name: Diglycolic acid
RN: 110-99-6
UNII: S4651635E0
InChIKey: QEVGZEDELICMKH-UHFFFAOYSA-N

Note

  • Nephrotoxic metabolite in diethylene glycol poisoning inducing necrosis in human proximal tubule cells.

Molecular Formula

  • C4-H6-O5

Molecular Weight

  • 134.086
 
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Names and Synonyms

Name of Substance

  • Diglycolic acid

Synonyms

  • 2,2'-Oxybisacetic acid
  • 2,2'-Oxydiacetic acid
  • 3-Oxapentanedioic acid
  • 4-03-00-00577 (Beilstein Handbook Reference)
  • AI3-24216
  • Bis(carboxymethyl) ether
  • Bis(carboxymethyl)ether
  • BRN 1072117
  • Diglycolic acid (6CI)
  • EINECS 203-823-5
  • NSC 8651
  • Oxodiacetic acid
  • Oxybisacetic acid
  • Oxydiacetic acid
  • Oxydiethanolic acid
  • UNII-S4651635E0

Systematic Names

  • Acetic acid, 2,2'-oxybis-
  • Acetic acid, oxydi-
  • Oxydi(acetic acid)

Registry Numbers

CAS Registry Number

  • 110-99-6

FDA UNII

  • S4651635E0

Other Registry Number

  • 77409-76-8

System Generated Number

  • 0000110996

Structure Descriptors

InChI

1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

InChIKey

QEVGZEDELICMKH-UHFFFAOYSA-N

Smiles

C(COCC(O)=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 500mg/kg (500mg/kg)   Angewandte Chemie, International Edition in English. Vol. 14, Pg. 94, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 148 deg C   EXP
log P (octanol-water) -2.010 (none)   EST
Water Solubility 4.17E+05 mg/L 25 EXP
Atmospheric OH Rate Constant 9.59E-12 cm3/molecule-sec 25 EST

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