Molecular properties
- Formula
- C5H8O3
- Molar mass
- 116.11 g·mol−1
- Exact mass
- 116.0473 Da
- 2
- 1
- 3
- 54.40 Ų
- -0.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 123-76-2
- PubChem CID
- 11579
Molecule record
LEVULINIC ACID
C5H8O3
116.11 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- 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
Alcohol
Carboxylic acid
Ketone
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -0.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 123-76-2
- 4-Ketovaleric acid
- 4-Oxopentanoic acid
- 4-Oxovaleric acid
- 4-ketopentanoic acid
- Acetopropionic acid
- Acidum laevulinicum
- CHEBI:45630
Show all 22 synonyms
- DTXCID701648
- DTXSID8021648
- FEMA No. 2627
- LEVA
- Laevulic acid
- Laevulinic acid
- Levulic acid
- Levulinsaeure
- NSC-3716
- Pentanoic acid, 4-oxo-
- RYX5QG61EI
- RefChem:153240
- beta-Acetylpropionic acid
- gamma-Ketovaleric acid
Structure identifiers
- Canonical SMILES
- CC(=O)CCC(=O)O
- Isomeric SMILES
- CC(=O)CCC(=O)O
- InChI
- InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
- InChIKey
- JOOXCMJARBKPKM-UHFFFAOYSA-N
- PubChem CID
- 11579
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
1715 cm−1C=O ketone (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for LEVULINIC ACID; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for LEVULINIC ACID; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.