laevulinicacid , 98% , 123-76-2

Synonym(s):
4-Oxopentanoic acid;4-Oxopentanoic acid, 4-Oxovalerianic acid;4-Oxovaleric acid;Levulinic acid

CAS NO.：123-76-2

Empirical Formula: C5H8O3

Molecular Weight: 116.12

MDL number: MFCD00002796

EINECS: 204-649-2

PRODUCT 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)
• FEMA: 2627 | LEVULINIC ACID
• refractive index: n20/D 1.439(lit.)
• Flash point: 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
• biological source: synthetic
• Water Solubility: Soluble in water ( 675g/L at 20°C).
• Sensitive: Light Sensitive
• Merck: 14,5472
• JECFA Number: 606
• BRN: 506796
• Major Application: cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• Cosmetics Ingredients Functions: PERFUMING; SKIN CONDITIONING
• Cosmetic Ingredient Review (CIR): Levulinic acid (123-76-2)
• InChI: 1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
• InChIKey: JOOXCMJARBKPKM-UHFFFAOYSA-N
• SMILES: CC(=O)CCC(O)=O
• LogP: -0.498
• Surface tension: 42.53mN/m at 298.15K
• 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)

Description and Uses

Levulinic acid has a tart, whiskey taste. It may be synthesized by the action of more or less concentrated HCL on sucrose, glucose, or fructose; hence, its reported presence in caramels.

Levulinic acid may be used as an analytical reference standard for the quantification of the analyte in the following:
Soy sauce using liquid chromatography coupled to mass spectrometry (LC–MS).
Liquid food samples using gas chromatography with flame ionization detection (GC-FID).

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H302-H317-H318
• Precautionary statements: P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
• 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: TSCA listed
• HazardClass: 8
• PackingGroup: III
• HS Code: 29183000
• Storage Class: 13 - Non Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Eye Dam. 1; Skin Sens. 1
• Toxicity: LD50 orally in Rabbit: 1850 mg/kg LD50 dermal Rabbit > 5000 mg/kg