8.14254

Levulinic acid

for synthesis

• Synonym(s): Levulinic acid, 4-Oxopentanoic acid, 4-Oxovalerianic acid
• Empirical Formula (Hill Notation): C₅H₈O₃
• CAS Number: 123-76-2
• Molecular Weight: 116.12
• UNSPSC Code: 12352106
• EC Index Number: 204-649-2
• NACRES: NA.22
• MDL number: MFCD00002796
• Assay: ≥98.0% (acidimetric)
• Form: solid

Properties

• SMILES string: OC(=O)CCC(=O)C
• InChI: 1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
• InChI key: JOOXCMJARBKPKM-UHFFFAOYSA-N
• assay: ≥98.0% (acidimetric)
• form: solid
• potency: 1850 mg/kg LD₅₀, oral (Rat), >5000 mg/kg LD₅₀, skin (Rabbit)
• bp: 245-246 °C/1013 mbar
• mp: 26-29 °C
• transition temp: flash point 98 °C
• solubility: 675 g/L
• density: 1.13 g/cm³ at 20 °C
• storage temp.: 2-30°C
• Quality Level: 200

Description

Analysis Note

Assay (acidimetric): ≥ 98.0 %
Water (K. F.): ≤ 1.0 %
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302 - H317 - H318
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Sens. 1
• Storage Class: 13 - Non Combustible Solids
• wgk: WGK 2
• flash_point_f: 208.4 °F - closed cup
• flash_point_c: 98 °C - closed cup