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Chemical substance record

Pentan-3-ol

584-02-1C5H12O88.15 g/mol

A secondary alcohol that is pentane substituted by a hydroxy group at position 3. It is produced by plants and is a component of emitted insect sex pheromones. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number584-02-1ChEBI ↗
Molecular formulaC5H12OChEBI ↗
Molar mass88.15 g/molChEBI ↗
Monoisotopic mass88.08882 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:77519ChEBI ↗

Names & structural identifiers

Copy any identifier
pentan-3-ol
pentan-3-ol
AQIXEPGDORPWBJ-UHFFFAOYSA-N
CCC(O)CC
InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

pheromonebiomarkerfuel additiveplant metabolite

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

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.0113443 mol

Uses 88.15 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
68.13%
O
Oxygen · 1 atom
18.15%
H
Hydrogen · 12 atoms
13.72%

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
Fragrance materials review on isoamyl alcohol. ↗Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association · 2010 Jul · PMID 20659631

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:77519

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.