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Substance Name: Diethyl (ethoxymethylene)malonate
RN: 87-13-8
UNII: 6KF8220SZ8
InChIKey: LTMHNWPUDSTBKD-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C10-H16-O5

Molecular Weight

  • 216.231
 
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Names and Synonyms

Name of Substance

  • Diethyl (ethoxymethylene)malonate

Synonyms

  • 4-03-00-01192 (Beilstein Handbook Reference)
  • AI3-04025
  • BRN 0880058
  • Diethyl (ethoxymethylene)malonate
  • Diethyl EMME
  • EC 201-725-7
  • EINECS 201-725-7
  • Ethoxymethylenemalonic acid diethyl ester
  • Ethoxymethylenemalonic acid, ethyl ester
  • NSC 62117
  • TL 1483
  • UNII-6KF8220SZ8

Systematic Names

  • Diethyl ethoxymethylenemalonate
  • Malonic acid, (ethoxymethylene)-, diethyl ester
  • Propanedioic acid, (ethoxymethylene)-, diethyl ester
  • Propanedioic acid, 2-(ethoxymethylene)-, 1,3-diethyl ester

Registry Numbers

CAS Registry Number

  • 87-13-8

FDA UNII

  • 6KF8220SZ8

Other Registry Number

  • 69731-53-9

System Generated Number

  • 0000087138

Structure Descriptors

InChI

1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3

InChIKey

LTMHNWPUDSTBKD-UHFFFAOYSA-N

Smiles

C(\C(OCC)=O)(C(OCC)=O)=C\OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 44mg/m3 (44mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. 30101, Pg. 11, 1945.
mouse LD50 oral 2227mg/kg (2227mg/kg)   Journal of Pharmaceutical Sciences. Vol. 60, Pg. 1810, 1971.
rat LD50 oral 925mg/kg (925mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

GASTROINTESTINAL: OTHER CHANGES
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 37, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.950 (none)   EST
Atmospheric OH Rate Constant 2.33E-11 cm3/molecule-sec 25 EST

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