L2009

Levulinic acid

98%

• Synonym(s): 4-Oxopentanoic acid, 4-Oxovaleric acid
• Linear Formula: CH₃COCH₂CH₂COOH
• CAS Number: 123-76-2
• Molecular Weight: 116.12
• Beilstein/REAXYS Number: 506796
• EC Number: 204-649-2
• MDL number: MFCD00002796
• UNSPSC Code: 12352100
• PubChem Substance ID: 24896298
• NACRES: NA.22

Properties

• vapor pressure: 1 mmHg ( 102 °C)
• assay: 98%
• bp: 245-246 °C (lit.)
• mp: 30-33 °C (lit.)
• density: 1.134 g/mL at 25 °C (lit.)
• SMILES string: CC(=O)CCC(O)=O
• InChI: 1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
• InChI key: JOOXCMJARBKPKM-UHFFFAOYSA-N

Description

Application

Levulinic acid is a precursor for the synthesis of useful intermediates such as γ-valerolactone, ethyl levulinate, pentanoic acid and 2-methyl-tetrahydrofuran. Derivatization and esterification of levulinic acid results in potential biofuels.

It can also be used in:

• The preparation of catalytic composite to synthesize 5-hydroxymethylfurfural and furfural.
• The synthesis of a commercial fragrance, fraistone.
• The synthesis of pyrrolidone derivatives via reductive amination.
• The total synthesis of mycobacterial arabinogalactan.

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_germany: WGK 2
• flash_point_f: 208.4 °F - closed cup
• flash_point_c: 98 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves