Basic information
- Name:
Levulinic acid
- CAS No.:
123-76-2
- Molecular Structure:
- Formula:
- C5H8O3
- Molecular Weight:
- 116.12
- Synonyms:
- Propionic acid, 3-acetyl-;4-Ketovaleric acid;Valeric acid, 4-oxo-;Pentanoic acid, 4-oxo-;Pentanoic acid,4-oxo-;4-Oxopentanoic acid;LEVA;Levulinicacid;Usaf cz-1;Acetopropionic acid;4-Oxovaleric acid;.gamma.-Ketovaleric acid;3-Acetylpropionic acid;4-oxopentanoate;
- EINECS:
- 204-649-2
- Density:
- 1.129 g/cm3
- Melting Point:
- 30-33 °C(lit.)
- Boiling Point:
- 242.9 °C at 760 mmHg
- Flash Point:
- 115 °C
- Appearance:
- clear yellowish liquid after melting
- Hazard Symbols:
Xn,
C- Risk Codes:
- 22-36/37/38-34
- Safety Description:
- 26-45-36/37/39 Details
- Transport Information:
- 3261
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Chemistry
IUPAC Name: 4-Oxopentanoic acid
Synonyms of Levulinic acid (CAS NO.123-76-2): Laevulinic acid ; 4-Oxopentanoic acid ; 4-Oxovaleric acid ; gamma-Ketovaleric acid ; Levulic acid ; 4-Oxo-pentanoic acid
CAS NO: 123-76-2
Molecular Formula: C5H8O3
Molecular Weight: 116.12
Molecular Structure: 
EINECS: 204-649-2
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.434
Molar Refractivity: 26.8 cm3
Molar Volume: 102.8 cm3
Surface Tension: 39.6 dyne/cm
Density: 1.129 g/cm3
Flash Point: 115 °C
Enthalpy of Vaporization: 52.85 kJ/mol
Boiling Point: 242.9 °C at 760 mmHg
Vapour Pressure: 0.0109 mmHg at 25°C
Melting Point: 30-33 °C(lit.)
Appearance: clear yellowish liquid after melting
Product Categories of Levulinic acid (CAS NO.123-76-2): ACETYLGROUP;Intermediates;Fatty & Aliphatic Acids, Esters, Alcohols & Derivatives;Biochemistry;Reagents for Oligosaccharide Synthesis;Dextrins、Sugar & Carbohydrates
Uses
Levulinic acid (CAS NO.123-76-2) is a precursor to nylon-like polymers, synthetic rubbers, and plastics. And it is a versatile synthetic intermediate in the synthesis of pharmaceuticals. Besides, it is a precursor in the industrial production of other chemical commodities such as methyltetrahydrofuran, valerolactone, and ethyl levulinate.
Production
Production of Levulinic acid (CAS NO.123-76-2):
Levulinic acid is prepared in the laboratory by heating sucrose with concentrated hydrochloric acid. The process proceeds via the intermediacy of glucose, which is isomerized to fructose and then hydroxymethylfurfural. Other sugar-derivatives, such as levulose, inulin, starch, and other acids, e.g. sulfuric acids can also be used.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 450mg/kg (450mg/kg) | National Technical Information Service. Vol. AD607-952, | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 847, 1979. | |
| rat | LD50 | oral | 1850mg/kg (1850mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 847, 1979. |
Safety Profile
Safety Information about Levulinic acid (CAS NO.123-76-2):
Hazard Codes: 
Xn,
C
Risk Statements: 22-36/37/38-34
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R34: Causes burns.
Safety Statements: 26-45-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 3261
WGK Germany: 3
RTECS: OI1575000
HazardClass: 8
PackingGroup: III
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide.
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood.
Storage: Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container. Corrosives area.