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CHEBI:172922 - ethylzingerone

Default Structure
ChEBI IDCHEBI:172922
ChEBI Nameethylzingerone
Stars
DefinitionA methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by ethoxy and hydroxy groups, respectively. It is a preservative with antimicrobial activity and a good safety profile that has been approved for use in cosmetics. It is structurally similar to zingerone, a phytochemical found in the root of the ginger plant Zingiber officinale.
Last Modified20 May 2021
Submitterrnash
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESCCOc1cc(CCC(C)=O)ccc1O
InChIInChI=1S/C12H16O3/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14/h6-8,14H,3-5H2,1-2H3
InChIKeyMXLOKFOWFPJWCW-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antimicrobial cosmetic preservative  An antimicrobial agent that is added to cosmetic formulations to maintain the microbiological safety of the products by inhibiting the growth of fungi or bacteria.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
ethylzingerone (CHEBI:172922) has role antibacterial agent (CHEBI:33282)
ethylzingerone (CHEBI:172922) has role antifungal agent (CHEBI:35718)
ethylzingerone (CHEBI:172922) has role antimicrobial cosmetic preservative (CHEBI:172949)
ethylzingerone (CHEBI:172922) is a aromatic ether (CHEBI:35618)
ethylzingerone (CHEBI:172922) is a methyl ketone (CHEBI:51867)
ethylzingerone (CHEBI:172922) is a phenols (CHEBI:33853)
IUPAC Name 
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one
Synonyms  Source
4-(3-ethoxy-4-hydroxyphenyl)-2-butanoneChemIDplus
HEPBSUBMITTER
hydroxyethoxyphenyl butanoneChemIDplus
Manual XrefsDatabases
24208550ChemSpider
Registry NumbersSources
CAS:569646-79-3ChemIDplus
Citations