36M

propyl 4-hydroxybenzoate


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Chemical Component Summary

Namepropyl 4-hydroxybenzoate
Identifierspropyl 4-oxidanylbenzoate
FormulaC10 H12 O3
Molecular Weight180.2
TypeNON-POLYMER
Isomeric SMILESCCCOC(=O)c1ccc(cc1)O
InChIInChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyQELSKZZBTMNZEB-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count25
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB14177 
NamePropylparaben
Groups
  • experimental
  • approved
DescriptionPropylparaben is used in allergenic testing.
Synonyms
  • 4-Hydroxybenzoic acid, propyl ester
  • 4-Hydroxybenzoic acid propyl ester
  • Propylparaben
  • Propyl paraben
  • p-Hydroxybenzoic propyl ester
Brand NamesT.R.U.E. Test Thin-Layer Rapid Use Patch Test
IndicationPropylparaben is used in allergenic testing.
Categories
  • Acids, Carbocyclic
  • Benzene Derivatives
  • Benzoates
  • Cell-mediated Immunity
  • Compounds used in a research, industrial, or household setting
CAS number94-13-3

Related Resource References

Resource NameReference
PubChem 7175
ChEMBL CHEMBL194014
ChEBI CHEBI:32063
CCDC/CSD LATBAL, UXEQAR02, DUPKAB
COD 2224953