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Substance Name: Ethoxycarbonylmethyl ethyl phthalate
RN: 84-72-0
UNII: C591YI5BTG
InChIKey: PZBLUWVMZMXIKZ-UHFFFAOYSA-N

Molecular Formula

  • C14-H16-O6

Molecular Weight

  • 280.2744
 
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Names and Synonyms

Results Name

  • Ethoxycarbonylmethyl ethyl phthalate

Name of Substance

  • Ethoxycarbonylmethyl ethyl phthalate

Synonyms

  • 4-09-00-03256 (Beilstein Handbook Reference)
  • AI3-01794
  • BRN 1389422
  • Carbethoxymethyl ethyl phthalate
  • Diethyl o-carboxybenzoyloxyacetate
  • EINECS 201-555-3
  • Ethoxycarbonylmethyl ethyl phthalate
  • Ethyl carbethoxymethyl phthalate
  • Ethyl phthalyl ethyl glycolate
  • Santicizer E-15
  • UNII-C591YI5BTG

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl-, ethyl ester
  • 1,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl-, ethyl ester (9CI)
  • Ethoxycarbonylmethyl ethyl phthalate
  • Phthalic acid, ethyl ester, ester with ethyl glycolate

Superlist Name

  • 1,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl ethyl ester

Registry Numbers

CAS Registry Number

  • 84-72-0

FDA UNII

  • C591YI5BTG

System Generated Number

  • 0000084720

Structure Descriptors

InChI

1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3

InChIKey

PZBLUWVMZMXIKZ-UHFFFAOYSA-N

Smiles

c1(c(C(OCC)=O)cccc1)C(OCC(OCC)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4380mg/kg (4380mg/kg)   Environmental Research. Vol. 9, Pg. 1, 1975.
mouse LD50 oral 5660uL/kg (5.66mL/kg)   Journal of Biomedical Materials Research. Vol. 8, Pg. 11, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.190 (none)   EST
Water Solubility 217 mg/L 25 EST
Vapor Pressure 2.16E-04 mm Hg 25 EST
Henry's Law Constant 6.64E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.93E-12 cm3/molecule-sec 25 EST

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