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CHEBI:31835 - methylparaben

ChEBI IDCHEBI:31835
ChEBI Namemethylparaben
Stars
DefinitionA 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries.
Last Modified22 February 2017
DownloadsMolfile
FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILESCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKeyLXCFILQKKLGQFO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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).
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
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)
methylparaben (CHEBI:31835) has role antifungal agent (CHEBI:35718)
methylparaben (CHEBI:31835) has role antimicrobial food preservative (CHEBI:65256)
methylparaben (CHEBI:31835) has role neuroprotective agent (CHEBI:63726)
methylparaben (CHEBI:31835) has role plant metabolite (CHEBI:76924)
methylparaben (CHEBI:31835) is a paraben (CHEBI:85122)
IUPAC Name 
methyl 4-hydroxybenzoate
Synonyms  Source
methyl p-hydroxybenzoateChemIDplus
E218ChEBI
methyl parabenChemIDplus
4-hydroxybenzoic acid methyl esterChemIDplus
p-hydroxybenzoic acid methyl esterChemIDplus
p-methoxycarbonylphenolChemIDplus
Brand Names  Source
MethabenChemIDplus
MetabenChemIDplus
MetoxydeChemIDplus
Tegosept MChemIDplus
NipaginChemIDplus
PreservalChemIDplus
Manual XrefsDatabases
MethylparabenWikipedia
MPBPDBeChem
HMDB0032572HMDB
D01400KEGG DRUG
1766DrugCentral
Registry NumbersSources
CAS:99-76-3ChemIDplus
CAS:99-76-3NIST Chemistry WebBook
Citations