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Chemical substance record

1-penten-3-one

1629-58-9C5H8O84.118 g/mol

An enone that is pent-1-ene substituted by an oxo group at position 3. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number1629-58-9ChEBI ↗
Molecular formulaC5H8OChEBI ↗
Molar mass84.118 g/molChEBI ↗
Monoisotopic mass84.05751 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:89945ChEBI ↗

Cross-source molecular data

PubChem
Molar mass84.12 g/molPubChem ↗
Exact mass84.057514874 DaPubChem ↗
Computed XLogP1PubChem ↗
Topological polar surface area (Ų)17.1PubChem ↗
H-bond donors0PubChem ↗
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
1-penten-3-one
pent-1-en-3-one
JLIDVCMBCGBIEY-UHFFFAOYSA-N
C=CC(=O)CC
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3

Names & synonyms

pent-1-en-3-one

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

flavouring agentgenotoxinplant metabolitehuman 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
0.0118881 mol

Uses 84.118 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
71.39%
O
Oxygen · 1 atom
19.02%
H
Hydrogen · 8 atoms
9.59%

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:89945

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

NCBI PubChem · CID 15394 · 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.