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Chemical substance record

Butane

106-97-8C4H1058.124 g/mol

A straight chain alkane composed of 4 carbon atoms. — ChEBI

Safety references

Safety documents & references

2 indexed references
US · NIOSH

Occupational chemical safety guide

n-Butane

Read official guide
JP · NITE

Government GHS classification

R01-B-017 · FY2019

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 number106-97-8ChEBI ↗
Molecular formulaC4H10ChEBI ↗
Molar mass58.124 g/molChEBI ↗
Monoisotopic mass58.07825 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:37808ChEBI ↗

Cross-source molecular data

PubChem
Molar mass58.12 g/molPubChem ↗
Exact mass58.078250319 DaPubChem ↗
Computed XLogP2.9PubChem ↗
Topological polar surface area (Ų)0PubChem ↗
H-bond donors0PubChem ↗
H-bond acceptors0PubChem ↗
Rotatable bonds1PubChem ↗

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

Copy any identifier
butane
butane
IJDNQMDRQITEOD-UHFFFAOYSA-N
CCCC
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

antihypertensive agentfood propellantrefrigerant

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 · FY2019 source classification
n-Butane · R01-B-017
EndpointReported classification
Explosives*
Flammable gases (including chemically unstable gases)Category 1
Aerosols*
Oxidizing gases*
Gases under pressureLow pressure liquefied gas
Flammable liquids*

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
0.0172046 mol

Uses 58.124 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 · 4 atoms
82.66%
H
Hydrogen · 10 atoms
17.34%

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
The toxicological properties of petroleum gases. ↗International journal of toxicology · 2014 Jan-Feb · PMID 24179026

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:37808

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

NCBI PubChem · CID 7843 · 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.