CHEBI:31575 - ethylparaben

ChEBI IDCHEBI:31575
ChEBI Nameethylparaben
Stars
DefinitionAn ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol,
Secondary ChEBI IDCHEBI:86616
Last Modified22 February 2017
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILESCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKeyNUVBSKCKDOMJSU-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Aeschynanthus bracteatus (ncbitaxon:175969) - PubMed (18590922)
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
phytoestrogen  Any compound produced by a plant that happens to have estrogenic activity.
antimicrobial food preservative  A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
Application:
antimicrobial food preservative  A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
ChEBI Ontology
Outgoing Relation(s)
ethylparaben (CHEBI:31575) has role antifungal agent (CHEBI:35718)
ethylparaben (CHEBI:31575) has role antimicrobial food preservative (CHEBI:65256)
ethylparaben (CHEBI:31575) has role phytoestrogen (CHEBI:76989)
ethylparaben (CHEBI:31575) has role plant metabolite (CHEBI:76924)
ethylparaben (CHEBI:31575) is a ethyl ester (CHEBI:23990)
ethylparaben (CHEBI:31575) is a paraben (CHEBI:85122)
IUPAC Name 
ethyl 4-hydroxybenzoate
Synonyms  Source
Ethyl parahydroxybenzoateKEGG DRUG
p-OxybenzoesaeureaethylesterChemIDplus
E214ChEBI
p-hydroxybenzoic acid ethyl esterChemIDplus
ethyl parabenChemIDplus
4-hydroxybenzoic acid ethyl esterChemIDplus
Manual XrefsDatabases
D01647KEGG DRUG
E4BPDBeChem
HMDB0032573HMDB
C00033837KNApSAcK
EthylparabenWikipedia
4773DrugCentral
Registry NumbersSources
Reaxys:1101972Reaxys
CAS:120-47-8KEGG DRUG
CAS:120-47-8ChemIDplus
CAS:120-47-8NIST Chemistry WebBook
Citations