ethylzingerone (CHEBI:172922)

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CHEBI:172922 - ethylzingerone

ChEBI ID	CHEBI:172922
ChEBI Name	ethylzingerone
Stars
Definition	A 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 Modified	20 May 2021
Submitter	rnash
Downloads	Molfile

Formula	C12H16O3
Net Charge	0
Average Mass	208.257
Monoisotopic Mass	208.10994
SMILES	CCOc1cc(CCC(C)=O)ccc1O
InChI	InChI=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
InChIKey	MXLOKFOWFPJWCW-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.

antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria.

antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

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
hydroxyethoxyphenyl butanone	ChemIDplus
HEPB	SUBMITTER
4-(3-ethoxy-4-hydroxyphenyl)-2-butanone	ChemIDplus

Manual Xrefs	Databases
24208550	ChemSpider

Registry Numbers	Sources
CAS:569646-79-3	ChemIDplus

Citations