Molecule record

Acetone

C₃H₆O

58.08 g/mol

Show IUPAC name

IUPAC name

Propan-2-one

Molecular properties

Formula: C₃H₆O
Molar mass: 58.08 g·mol⁻¹
Exact mass: 58.0419 Da
: 1
: 0
: 1
: 17.10 Å²
: -0.1 (PubChem computed XLogP3-AA descriptor)
CAS: 67-64-1
PubChem CID: 180

Interactions

Polarity: Polar functional group with nonpolar contribution from the carbon skeleton.
Acid-base behavior: Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces: Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Ketone

Physical properties

Property	Value	Conditions	Source
Boiling point	56.05 deg C	1 atm	PubChem(link only)
Density	0.7845 g/mL	25 deg C	PubChem(link only)
Logp	-0.1	PubChem computed XLogP3-AA descriptor	PubChem(link only)
Flash point	-20 deg C	closed cup	PubChem(link only)

Common names and synonyms

2-propanone
67-64-1
AI3-01238
Aceton
Caswell No. 004
Chevron acetone
DTXSID8021482
Dimethyl formaldehyde

Show all 22 synonyms

Dimethyl ketone
Dimethylformaldehyde
Dimethylketal
FEMA No. 3326
Ketone propane
Ketone, dimethyl
Methyl ketone
NSC-135802
Pyroacetic acid
Pyroacetic ether
RCRA waste number U002
Taimax
beta-Ketopropane
propanone

Structure identifiers

Canonical SMILES: CC(=O)C
Isomeric SMILES: CC(=O)C
InChI: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChIKey: CSCPPACGZOOCGX-UHFFFAOYSA-N
PubChem CID: 180

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm^-1 resolution / deterministic instrument profile

Hover for cursor

ResolutionNoise

Peak assignments

1715 cm⁻¹C=O ketone (simulated)

2960 cm⁻¹sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for Acetone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Acetone; not experimental data.

Related molecules

Acetaldehyde

C₂H₄O44.05 g·mol⁻¹

Acetic acid

C₂H₄O₂60.05 g·mol⁻¹

Isopropanol

C₃H₈O60.10 g·mol⁻¹

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)

Open source record