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Substance Name: Methyl 2,4-dihydroxybenzoate
RN: 2150-47-2
UNII: XE68BU3OYJ
InChIKey: IIFCLXHRIYTHPV-UHFFFAOYSA-N

Molecular Formula

  • C8-H8-O4

Molecular Weight

  • 168.1472
 
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Names and Synonyms

Name of Substance

  • Methyl 2,4-dihydroxybenzoate

Synonyms

  • AI3-31503
  • EINECS 218-428-3
  • Methyl 2,4-dihydroxybenzoate
  • Methyl-2,4-dihydroxybenzoate
  • UNII-XE68BU3OYJ

Systematic Names

  • Benzoic acid, 2,4-dihydroxy-, methyl ester
  • Methyl 2,4-dihydroxybenzoate

Registry Numbers

CAS Registry Number

  • 2150-47-2

FDA UNII

  • XE68BU3OYJ

System Generated Number

  • 0002150472

Structure Descriptors

InChI

1S/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3

InChIKey

IIFCLXHRIYTHPV-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(O)cc1O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 118-121 deg C   EXP
log P (octanol-water) 2.120 (none)   EST
Water Solubility 3670 mg/L 25 EST
Vapor Pressure 4.99E-05 mm Hg 25 EST
Henry's Law Constant 4.73E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.84E-10 cm3/molecule-sec 25 EST

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