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Chemical substance record

Butan-1-ol

71-36-3C4H10O74.123 g/mol

A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. — ChEBI

Safety references

Safety documents & references

2 indexed references
US · NIOSH

Occupational chemical safety guide

n-Butyl alcohol

Read official guide
JP · NITE

Government GHS classification

R05-C-022-JNIOSH, MOE · FY2023

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 number71-36-3ChEBI ↗
Molecular formulaC4H10OChEBI ↗
Molar mass74.123 g/molChEBI ↗
Monoisotopic mass74.07316 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:28885ChEBI ↗

Cross-source molecular data

PubChem
Molar mass74.12 g/molPubChem ↗
Exact mass74.073164938 DaPubChem ↗
Computed XLogP0.9PubChem ↗
Topological polar surface area (Ų)20.2PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors1PubChem ↗
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
butan-1-ol
butan-1-ol
LRHPLDYGYMQRHN-UHFFFAOYSA-N
CCCCO
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

protic solventmouse metabolitehuman 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 · FY2023 source classification
1-Butanol · R05-C-022-JNIOSH, MOE
EndpointReported classification
Serious eye damage/eye irritationCategory 1

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
0.0134911 mol

Uses 74.123 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
64.82%
O
Oxygen · 1 atom
21.58%
H
Hydrogen · 10 atoms
13.60%

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:28885

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

NCBI PubChem · CID 263 · 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.