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Chemical substance record

Catechol

120-80-9C6H6O2110.112 g/mol

A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other. — ChEBI

Safety references

Safety documents & references

2 indexed references
US · NIOSH

Occupational chemical safety guide

Catechol

Read official guide
JP · NITE

Government GHS classification

R03-C-036-MHLW · FY2021

View classification

Find a product-specific SDS

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values
CAS number120-80-9ChEBI ↗
Molecular formulaC6H6O2ChEBI ↗
Molar mass110.112 g/molChEBI ↗
Monoisotopic mass110.03678 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:18135ChEBI ↗

Cross-source molecular data

PubChem
Molar mass110.11 g/molPubChem ↗
Exact mass110.036779430 DaPubChem ↗
Computed XLogP0.9PubChem ↗
Topological polar surface area (Ų)40.5PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors2PubChem ↗
Rotatable bonds0PubChem ↗

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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catechol
benzene-1,2-diol
YCIMNLLNPGFGHC-UHFFFAOYSA-N
Oc1ccccc1O
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

Names & synonyms

benzene-1,2-diol

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

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

genotoxinallelochemicalplant metabolite

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

Safety classification · Japan

NITE / Japanese government
Japan · FY2021 source classification
Catechol (synonym: Pyrocatechol) · R03-C-036-MHLW
EndpointReported classification
CarcinogenicityCategory 1B

Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.

Read the original NITE classification

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00908166 mol

Uses 110.112 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 · 6 atoms
65.45%
O
Oxygen · 2 atoms
29.06%
H
Hydrogen · 6 atoms
5.49%

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

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:18135

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

NCBI PubChem · CID 289 · 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. Several CAS cross-references occur in this ChEBI entry; this page uses 120-80-9. Check the original record for identity context.