Chemical substance record

Ethylparaben

120-47-8C₉H₁₀O₃166.176 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol, — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	120-47-8	ChEBI ↗
Molecular formula	C₉H₁₀O₃	ChEBI ↗
Molar mass	166.176 g/mol	ChEBI ↗
Monoisotopic mass	166.06299 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:31575	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	166.17 g/mol	PubChem ↗
Exact mass	166.062994177 Da	PubChem ↗
Computed XLogP	2.5	PubChem ↗
Topological polar surface area (Å²)	46.5	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	3	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

ethylparaben

IUPAC name

ethyl 4-hydroxybenzoate

InChIKey

NUVBSKCKDOMJSU-UHFFFAOYSA-N

SMILES

CCOC(=O)c1ccc(O)cc1

InChI

InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

Names & synonyms

ethyl 4-hydroxybenzoate

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

Classification & relationships

ChEBI ontology

ethyl esterChEBI parent class · 23990 ↗parabenChEBI parent class · 85122 ↗

ester phenols organic molecular entity

Roles recorded in ChEBI

antifungal agentantimicrobial food preservativeplant metabolitephytoestrogen

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

0.00601772 mol

Uses 166.176 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 · 9 atoms

65.05%

O

Oxygen · 3 atoms

28.88%

H

Hydrogen · 10 atoms

6.07%

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

Degradation of ethylparaben under simulated sunlight using photo-Fenton. ↗Water science and technology : a journal of the International Association on Water Pollution Research · 2016 · PMID 26901724

Photodegradation of ethyl paraben using simulated solar radiation and Ag(3)PO(4) photocatalyst. ↗Journal of hazardous materials · 2017 Feb 5 · PMID 27106519

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:31575

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

Additional molecular descriptorsNCBI PubChem · CID 8434 · 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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