CAS 123-76-2PubChem CID 11579
Levulinic Acid
4-oxopentanoic acid is an oxopentanoic acid with the oxo group in the 4-position. It has a role as a plant metabolite. It is an oxopentanoic acid and a straight-chain saturated fatty acid. It is a conjugate acid of a 4-oxopentanoate. — ChEBI
- IUPAC name
- 4-oxopentanoic acid
- Molecular formula
- C5H8O3
- Molecular weight
- 116.11 g/mol
- Exact mass
- 116.047344113 Da
- XLogP3
- -0.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 3
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Laevulinic acidPentanoic acid, 4-oxo-4-Oxovaleric acidLevulic acid4-Ketovaleric acidgamma-Ketovaleric acidLEVAAcetopropionic acid
16 more reported names
LevulinsaeureLaevulic acidbeta-Acetylpropionic acidAcidum laevulinicumFEMA No. 2627RYX5QG61EINSC-3716CHEBI:456304-ketopentanoic acidRefChem:1532404-Oxopentanoic acid, 4-ketovaleric acid204-649-23-Acetylpropionic acid4-oxo-pentanoic acidUSAF CZ-1Valeric acid, 4-oxo-
External database identifiers
- ChEBI:CHEBI:45630
- ChEMBL:CHEMBL1235931
- EPA DTXSID:DTXSID8021648
- PubMed:22908534
- PubMed:22891691
- PubMed:22890968
- PubMed:22887922
- PubMed:22856583
- PubMed:22856559
- PubMed:22730169
- PubMed:22728786
- PubMed:22705534
- PubMed:22696262
- PubMed:22609675
- PubMed:22609656
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match11579
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 245.5 °C Source: DrugBank
- Boiling Point: 245.00 to 246.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 245 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 1.136-1.147 (20 °C) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- pKa: 4.64 (at 18 °C) Source: DrugBank
- LogP: -0.49 Source: DrugBank
- LogP: -0.49 Source: Human Metabolome Database (HMDB)
- Melting Point: 33 °C Source: DrugBank
- Melting Point: 30 - 33 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Solid; Product of industry is yellow; mp = 33-35 deg C; [Merck Index] Solid; mp = 30-33 deg C; [Sigma-Aldrich MSDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Solid Source: Human Metabolome Database (HMDB)
- Physical Description: yellow to brown liquid which may congeal; with mild caramellic odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.439-1.445 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: soluble in water, alcohol, and oil Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1 mL in 1 mL 95% alcohol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (88.6%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (10.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (10.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (88.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1892 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Cosmetic Ingredient Review Finding(s): Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org Source: Cosmetic Ingredient Review (CIR)
- Consumer Uses: Intermediate Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Laboratory chemicals; Intermediate Source: EPA Chemical Data Reporting (CDR)
- Cosmetic Ingredient Review Link: CIR ingredient: Levulinic Acid Source: Cosmetic Ingredient Review (CIR)
- Sources/Uses: Used to make nylon, synthetic rubber, plastic, and medicinals; [Merck Index] Used as a flavoring agent; [FDA] Used to flavor animal feeds; [ExPub: EFSA - FEEDAP] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Industrial Processes with risk of exposure: Farming (Feed Additives) [Category: Industry] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.