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Chemical substance record

Hexan-1-ol

111-27-3C6H14O102.177 g/mol

A primary alcohol that is hexane substituted by a hydroxy group at position 1. — ChEBI

Safety references

Safety documents & references

1 indexed references
JP · NITE

Government GHS classification

20A2100 · FY2008

View classification

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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 number111-27-3ChEBI ↗
Molecular formulaC6H14OChEBI ↗
Molar mass102.177 g/molChEBI ↗
Monoisotopic mass102.10447 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:87393ChEBI ↗

Names & structural identifiers

Copy any identifier
hexan-1-ol
hexan-1-ol
ZSIAUFGUXNUGDI-UHFFFAOYSA-N
CCCCCCO
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

antibacterial agentfragrancealarm pheromoneplant 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 · FY2008 source classification
hexan-1-ol · 20A2100
EndpointReported classification
Flammable liquidsCategory 3
Skin corrosion/irritationCategory 2
Serious eye damage/eye irritationCategory 2A
Hazardous to the aquatic environment (Acute)Category 3
Hazardous to the aquatic environment (Long-term)Category 3

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
0.00978694 mol

Uses 102.177 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
70.53%
O
Oxygen · 1 atom
15.66%
H
Hydrogen · 14 atoms
13.81%

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:87393

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

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.