Chemical substance record

Carvacrol

499-75-2C₁₀H₁₄O150.221 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1). — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	499-75-2	ChEBI ↗
Molecular formula	C₁₀H₁₄O	ChEBI ↗
Molar mass	150.221 g/mol	ChEBI ↗
Monoisotopic mass	150.10447 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:3440	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	150.22 g/mol	PubChem ↗
Exact mass	150.104465066 Da	PubChem ↗
Computed XLogP	3.1	PubChem ↗
Topological polar surface area (Å²)	20.2	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	1	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

carvacrol

IUPAC name

2-methyl-5-(propan-2-yl)phenol

InChIKey

RECUKUPTGUEGMW-UHFFFAOYSA-N

SMILES

Cc1ccc(C(C)C)cc1O

InChI

InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3

Names & synonyms

2-methyl-5-(propan-2-yl)phenol

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

Classification & relationships

ChEBI ontology

p-menthane monoterpenoidChEBI parent class · 25186 ↗phenolsChEBI parent class · 33853 ↗botanical anti-fungal agentChEBI parent class · 86494 ↗

phenols lipid organic molecular entity

Roles recorded in ChEBI

TRPA1 channel agonistvolatile oil componentantimicrobial agentagrochemicalflavouring agent

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

0.00665686 mol

Uses 150.221 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 · 10 atoms

79.96%

O

Oxygen · 1 atom

10.65%

H

Hydrogen · 14 atoms

9.39%

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

Carvacrol prevents diet-induced obesity by modulating gene expressions involved in adipogenesis and inflammation in mice fed with high-fat diet. ↗The Journal of nutritional biochemistry · 2012 Feb · PMID 21447440

Investigation of UDP-glucuronosyltransferases (UGTs) inhibitory properties of carvacrol. ↗Phytotherapy research : PTR · 2012 Jan · PMID 21544887

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:3440

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

Additional molecular descriptorsNCBI PubChem · CID 10364 · 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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