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Substance Name: n-Butyl gallate
RN: 1083-41-6
UNII: 67HZ41U710
InChIKey: XOPOEBVTQYAOSV-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O5

Molecular Weight

  • 226.2266
 
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Names and Synonyms

Name of Substance

  • n-Butyl gallate

Synonyms

  • 4-10-00-02004 (Beilstein Handbook Reference)
  • Benzoic acid, 3,4,5-trihydroxy-, butyl ester
  • BRN 3032709
  • Butyl 3,4,5-trihydroxybenzoate
  • Butyl gallate
  • Butylester kyseliny gallove
  • Butylester kyseliny gallove [Czech]
  • EINECS 214-107-7
  • NSC 33956
  • Progallin butyl
  • UNII-67HZ41U710

Systematic Names

  • Benzoic acid, 3,4,5-trihydroxy-, butyl ester (9CI)
  • Butyl 3,4,5-trihydroxybenzoate
  • Gallic acid, butyl ester

Registry Numbers

CAS Registry Number

  • 1083-41-6

FDA UNII

  • 67HZ41U710

System Generated Number

  • 0001083416

Structure Descriptors

InChI

1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3

InChIKey

XOPOEBVTQYAOSV-UHFFFAOYSA-N

Smiles

c1(cc(c(O)c(c1)O)O)C(OCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 860mg/kg (860mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 669, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.41 (none)   EXP
Water Solubility 1060 mg/L 25 EST
Vapor Pressure 1.07E-07 mm Hg 25 EST
Henry's Law Constant 9.15E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.36E-11 cm3/molecule-sec 25 EST

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