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Substance Name: Benzoic acid, 3,4-dimethoxy-, ethyl ester
RN: 3943-77-9
InChIKey: AYYNUGSDPRDVCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-O4

Molecular Weight

  • 210.228
 
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Names and Synonyms

Synonyms

  • 3,4-Dimethoxybenzoic acid ethyl ester
  • 4-10-00-01469 (Beilstein Handbook Reference)
  • BRN 3118897
  • EINECS 223-526-4
  • Ethyl 3,4-dimethoxybenzoate

Systematic Names

  • Benzoic acid, 3,4-dimethoxy-, ethyl ester
  • Ethyl veratrate
  • Veratric acid, ethyl ester (7CI,8CI)

Registry Numbers

CAS Registry Number

  • 3943-77-9

System Generated Number

  • 0003943779

Structure Descriptors

InChI

1S/C11H14O4/c1-4-15-11(12)8-5-6-9(13-2)10(7-8)14-3/h5-7H,4H2,1-3H3

InChIKey

AYYNUGSDPRDVCH-UHFFFAOYSA-N

Smiles

C(c1cc(OC)c(cc1)OC)(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 600mg/kg (600mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43.5 deg C   EXP
Boiling Point 295.5 deg C   EXP
log P (octanol-water) 1.960 (none)   EST
Atmospheric OH Rate Constant 9.33E-12 cm3/molecule-sec 25 EST

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