123-76-2
Product Name:
Levulinic acid
Formula:
C5H8O3
Synonyms:
4-Oxopentanoic acid;4-Oxopentanoic acid, 4-Oxovalerianic acid;4-Oxovaleric acid;Levulinic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pellets or Large Crystals, Liquid |
|---|---|
| Boiling Point | 245.5 °C |
| Melting Point | 33 °C |
| Solubility | soluble in water, alcohol, and oil |
| Density | 1.136-1.147 (20°) |
| LogP | -0.49 |
| Refractive Index | 1.439-1.445 |
| Dissociation Constants | 4.64 (at 18 °C) |
| Kovats Retention Index | 1065.8 |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 116.11 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.047344113 g/mol |
| Monoisotopic Mass | 116.047344113 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 106 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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 a straight-chain saturated fatty acid and an oxopentanoic acid. It is a conjugate acid of a 4-oxopentanoate.