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Substance Name: Meldrum's acid
RN: 2033-24-1
UNII: DD139RP1SC
InChIKey: GXHFUVWIGNLZSC-UHFFFAOYSA-N

Molecular Formula

  • C6-H8-O4

Molecular Weight

  • 144.125
 
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Names and Synonyms

Name of Substance

  • Meldrum's acid

Synonyms

  • 2,2-Dimethyl-1,3-dioxane-4,6-dione
  • 2,2-Dimethyl-4,6-dioxo-m-dioxane
  • 2,2-Dimethyl-m-dioxane-4,6-dione
  • 5-19-05-00008 (Beilstein Handbook Reference)
  • AI3-39039
  • BRN 0117310
  • EC 217-992-8
  • EINECS 217-992-8
  • Isopropylidene malonate
  • m-Dioxane-4,6-dione, 2,2-dimethyl-
  • Meldrum's acid
  • NSC 71902
  • UNII-DD139RP1SC

Systematic Names

  • 1,3-Dioxane-4,6-dione, 2,2-dimethyl-
  • 2,2-Dimethyl-1,3-dioxane-4,6-dione
  • m-Dioxane-4,6-dione, 2,2-dimethyl-
  • Malonic acid, cyclic isopropylidene ester (8CI)

Registry Numbers

CAS Registry Number

  • 2033-24-1

FDA UNII

  • DD139RP1SC

System Generated Number

  • 0002033241

Structure Descriptors

InChI

1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3

InChIKey

GXHFUVWIGNLZSC-UHFFFAOYSA-N

Smiles

C1(OC(CC(O1)=O)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04102,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 94 deg C   EXP
log P (octanol-water) 4.790 (none)   EST
Atmospheric OH Rate Constant 4.24E-13 cm3/molecule-sec 25 EST

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