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CHEBI:32063 - propylparaben

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:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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