Skip to content
[P]pubcas
Independent chemical reference Compare
Chemical substance record

Pentane

109-66-0C5H1272.151 g/mol

A straight chain alkane consisting of 5 carbon atoms. — ChEBI

Safety references

Safety documents & references

2 indexed references
US · NIOSH

Occupational chemical safety guide

n-Pentane

Read official guide
JP · NITE

Government GHS classification

H26-B-096 / R-042 · FY2014

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 number109-66-0ChEBI ↗
Molecular formulaC5H12ChEBI ↗
Molar mass72.151 g/molChEBI ↗
Monoisotopic mass72.0939 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:37830ChEBI ↗

Cross-source molecular data

PubChem
Molar mass72.15 g/molPubChem ↗
Exact mass72.093900383 DaPubChem ↗
Computed XLogP3.4PubChem ↗
Topological polar surface area (Ų)0PubChem ↗
H-bond donors0PubChem ↗
H-bond acceptors0PubChem ↗
Rotatable bonds2PubChem ↗

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
pentane
pentane
OFBQJSOFQDEBGM-UHFFFAOYSA-N
CCCCC
InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

non-polar solventrefrigerant

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 · FY2014 source classification
n-Pentane · H26-B-096 / R-042
EndpointReported classification
Flammable liquidsCategory 2
Serious eye damage/eye irritationCategory 2B
Specific target organ toxicity - Single exposureCategory 3 (Respiratory tract irritation, Narcotic effects)
Aspiration hazardCategory 1
Hazardous to the aquatic environment (Acute)Category 2

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
0.0138598 mol

Uses 72.151 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 · 5 atoms
83.24%
H
Hydrogen · 12 atoms
16.76%

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:37830

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

NCBI PubChem · CID 8003 · 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.