EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:32063 - propylparaben

Default Structure
ChEBI IDCHEBI:32063
ChEBI Namepropylparaben
Stars
DefinitionThe benzoate ester that is the propyl ester of 4-hydroxybenzoic acid. Preservative typically found in many water-based cosmetics, such as creams, lotions, shampoos and bath products. Also used as a food additive.
Last Modified22 February 2017
DownloadsMolfile
FormulaC10H12O3
Net Charge0
Average Mass180.203
Monoisotopic Mass180.07864
SMILESCCCOC(=O)c1ccc(O)cc1
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
Wikipedia
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
propylparaben (CHEBI:32063) has functional parent 4-hydroxybenzoic acid (CHEBI:30763)
propylparaben (CHEBI:32063) has functional parent propan-1-ol (CHEBI:28831)
propylparaben (CHEBI:32063) has role antifungal agent (CHEBI:35718)
propylparaben (CHEBI:32063) has role antimicrobial agent (CHEBI:33281)
propylparaben (CHEBI:32063) is a benzoate ester (CHEBI:36054)
propylparaben (CHEBI:32063) is a paraben (CHEBI:85122)
propylparaben (CHEBI:32063) is a phenols (CHEBI:33853)
IUPAC Name 
propyl 4-hydroxybenzoate
Synonyms  Source
4-Hydroxybenzoic acid propyl esterChemIDplus
4-Hydroxybenzoic acid, propyl esterChemIDplus
n-Propyl 4-hydroxybenzoateChEBI
n-propyl parabenChEBI
n-Propyl p-hydroxybenzoateChemIDplus
p-Hydroxybenzoic acid propyl esterChemIDplus
Manual XrefsDatabases
2307DrugCentral
D01422KEGG DRUG
HMDB0032574HMDB
PropylparabenWikipedia
Registry NumbersSources
Reaxys:1103245Reaxys
CAS:94-13-3KEGG DRUG
Citations