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Substance Name: Ethyl gallate
RN: 831-61-8
UNII: 235I6UDD3L
InChIKey: VFPFQHQNJCMNBZ-UHFFFAOYSA-N

Note

  • Used with osmium in procedure for mapping neuronal pathways.

Molecular Formula

  • C9-H10-O5

Molecular Weight

  • 198.173
 
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Names and Synonyms

Name of Substance

  • Ethyl gallate

Synonyms

  • 3,4,5-Trihydroxybenzoic acid ethyl ester
  • 4-10-00-02002 (Beilstein Handbook Reference)
  • BRN 2116014
  • EINECS 212-608-5
  • Ethyl 3,4,5-trihydroxybenzoate
  • Ethyl gallate
  • Ethyl-3,4,5-trihydroxybenzoate
  • Ethylester kyseliny gallove
  • Ethylester kyseliny gallove [Czech]
  • Gallic acid ethyl ester
  • NIPA 48
  • Nipa No. 48
  • Nipagallin A
  • NSC 402626
  • Phyllemblin
  • Progallin A
  • UNII-235I6UDD3L

Systematic Names

  • Benzoic acid, 3,4,5-trihydroxy-, ethyl ester
  • Ethyl 3,4,5-trihydroxybenzoate
  • Gallic acid, ethyl ester

Registry Numbers

CAS Registry Number

  • 831-61-8

FDA UNII

  • 235I6UDD3L

Other Registry Number

  • 52441-13-1

System Generated Number

  • 0000831618

Structure Descriptors

InChI

1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3

InChIKey

VFPFQHQNJCMNBZ-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cc(c(c(c1)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5810mg/kg (5810mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 668, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.3 (none)   EXP
Water Solubility 1.32E+04 mg/L 25 EST
Vapor Pressure 6.99E-07 mm Hg 25 EST
Henry's Law Constant 5.19E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.07E-11 cm3/molecule-sec 25 EST

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