Product Description of Levulinic Acid CAS# 123-76-2
Levulinic acid is an organic compound with the molecular formula C5H8O3. It is easily soluble in water and certain organic solvents, while being insoluble in gasoline, kerosene, turpentine, and carbon tetrachloride. The compound exhibits high thermal stability, showing minimal decomposition under normal pressure distillation. When heated for prolonged periods, it loses water to form unsaturated γ-lactone, enabling further chemical transformations.
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Levulinic acid Chemical Properties
Melting point | 30-33 °C (lit.) |
Boiling point | 245-246 °C (lit.) |
density | 1.134 g/mL at 25 °C (lit.) |
vapor pressure | 1 mm Hg ( 102 °C) |
refractive index | n20/D 1.439(lit.) |
FEMA | 2627 | LEVULINIC ACID |
Fp | 280 °F |
storage temp. | Store below +30°C. |
solubility | 675g/l |
form | Liquid After Melting |
pka | pKa 4.65(H2O,t = 25,c=0.03-0.001) (Uncertain) |
color | Clear yellow |
Odor | at 100.00 %. sweet caramel acidic acetoin buttery |
Odor Type | caramellic |
Water Solubility | Soluble in water ( 675g/L at 20°C). |
Sensitive | Light Sensitive |
Merck | 145472 |
JECFA Number | 606 |
BRN | 506796 |
InChIKey | JOOXCMJARBKPKM-UHFFFAOYSA-N |
LogP | -0.498 |
CAS DataBase Reference | 123-76-2(CAS DataBase Reference) |
NIST Chemistry Reference | Pentanoic acid, 4-oxo-(123-76-2) |
EPA Substance Registry System | Levulinic acid (123-76-2) |
Safety Information
Hazard Codes | Xn,C |
Risk Statements | 22-36/37/38-34-R34-R22 |
Safety Statements | 26-45-36/37/39-S45-S36/37/39-S26 |
RIDADR | 3261 |
WGK Germany | 3 |
RTECS | OI1575000 |
TSCA | Yes |
HazardClass | 8 |
PackingGroup | III |
HS Code | 29183000 |
Toxicity | LD50 orally in Rabbit: 1850 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
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Product Application of Levulinic Acid CAS# 123-76-2
Levulinic acid has a wide range of applications due to its ability to react as both a carboxylic acid and a ketone. Through reactions such as esterification, halogenation, hydrogenation, oxidative dehydrogenation, and condensation, it can be transformed into various products, including resins, pharmaceuticals, fragrances, solvents, coatings, inks, rubber and plastic additives, lubricant additives, and surfactants.
In the pharmaceutical industry, its calcium salt (calcium fructobiate) is used for the preparation of intravenous injections, supporting bone formation and maintaining normal excitability of nerves and muscles. Levulinic acid is also utilized in the production of indomethacin and plant hormones. Bisphenolic acid derived from levulinic acid is applied in the production of water-soluble resins for the paper industry, such as filter paper. Additionally, levulinic acid serves as an intermediate for pesticides and dyes, highlighting its versatility in chemical synthesis and industrial applications.
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