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Substance Name: Isobutyl gallate
RN: 3856-05-1
InChIKey: UCLHVCFKZSLALE-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O5

Molecular Weight

  • 226.227
 
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Names and Synonyms

Name of Substance

  • Isobutyl gallate

Synonyms

  • EINECS 223-363-9
  • NSC 147482

Systematic Name

  • Isobutyl 3,4,5-trihydroxybenzoate

Registry Numbers

CAS Registry Number

  • 3856-05-1

System Generated Number

  • 0003856051

Structure Descriptors

InChI

1S/C11H14O5/c1-6(2)5-16-11(15)7-3-8(12)10(14)9(13)4-7/h3-4,6,12-14H,5H2,1-2H3

InChIKey

UCLHVCFKZSLALE-UHFFFAOYSA-N

Smiles

O=C(OCC(C)C)c1cc(O)c(O)c(O)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.46 (none)   EXP
Water Solubility 961 mg/L 25 EST
Vapor Pressure 1.97E-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.