Chemical substance record

Zingerone

122-48-5C₁₁H₁₄O₃194.23 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by methoxy and hydroxy groups respectively. The major pungent component in ginger. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	122-48-5	ChEBI ↗
Molecular formula	C₁₁H₁₄O₃	ChEBI ↗
Molar mass	194.23 g/mol	ChEBI ↗
Monoisotopic mass	194.09429 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:68657	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	194.23 g/mol	PubChem ↗
Exact mass	194.094294304 Da	PubChem ↗
Computed XLogP	0.8	PubChem ↗
Topological polar surface area (Å²)	46.5	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	4	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

zingerone

IUPAC name

4-(4-hydroxy-3-methoxyphenyl)butan-2-one

InChIKey

OJYLAHXKWMRDGS-UHFFFAOYSA-N

SMILES

COc1cc(CCC(C)=O)ccc1O

InChI

InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3

Names & synonyms

4-(4-hydroxy-3-methoxyphenyl)butan-2-one

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

monomethoxybenzeneChEBI parent class · 25235 ↗phenolsChEBI parent class · 33853 ↗methyl ketoneChEBI parent class · 51867 ↗

ether ketone phenols organic molecular entity

Roles recorded in ChEBI

antioxidantflavouring agentfragranceantiemeticradiation protective agentanti-inflammatory agentplant metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00514854 mol

Uses 194.23 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 11 atoms

68.02%

O

Oxygen · 3 atoms

24.71%

H

Hydrogen · 14 atoms

7.27%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Manganese peroxidase-catalyzed oxidative degradation of vanillylacetone. ↗Chemosphere · 2008 Jun · PMID 18472135

[Effects of zingerone on fat storage in ovariectomized rats]. ↗Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan · 2008 Aug · PMID 18670185

DE102009055915 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

EP1336602 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

EP2327393 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:68657

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 31211 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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