levulinic acid
4-oxovaleric acid
Identification
| Name | levulinic acid |
| IUPAC | 4-oxopentanoic acid |
| CAS Number | 123-76-2 |
| EINECS | 204-649-2 |
| FDA UNII | RYX5QG61EI |
| Molecular Formula | C5 H8 O3 |
| Molecular Weight | 116.11636000 |
| MDL Number | MFCD00002796 |
| Nikkaji Number | J10.067F |
| Beilstein | 0506796 |
| CoE Number | 23 |
| XlogP3 | -0.50 (est) |
Regulatory
| JECFA Food Flavoring | 606 levulinic acid |
| DG SANTE Food Flavourings | 08.023 4-oxovaleric acid |
| DG SANTE Food Contact Materials | 4-oxovaleric acid |
| FEMA Number | 2627 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 123-76-2 ; LEVULINIC ACID |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | yellow to brown clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.13800 to 1.14800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.469 to 9.553 |
| Refractive Index | 1.43500 to 1.44500 @ 20.00 °C. |
| Melting Point | 30.00 to 33.00 °C. @ 760.00 mm Hg |
| Boiling Point | 245.00 to 246.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.011000 mmHg @ 25.00 °C. (est) |
| Flash Point | 280.00 °F. TCC ( 137.78 °C. ) |
| logP (o/w) | -0.490 |
| Soluble in | alcohol |
| Insoluble in | paraffin oil |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 400 hour(s) at 20.00 % |
| Odor Description |
at 100.00 %. Sweet, guaiacol-like, creamy, acidic and slight vanillin-like
|
| Odor sample from | Sigma-Aldrich |
| Taste Description | at 70.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 1850 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | cosmetic, flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 190.00 (μg/capita/day) |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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