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levulinic acid
General Material Information
| Preferred name | levulinic acid |
| Trivial Name | Levulinic acid |
| Short Description | 4-oxovaleric acid |
| Formula | C5 H8 O3 |
| CAS Number | 123-76-2 |
| FEMA Number | 2627 |
| Flavis Number | 8.023 |
| ECHA Number | 204-649-2 |
| FDA UNII | RYX5QG61EI |
| Nikkaji Number | J10.067F |
| Beilstein Number | 0506796 |
| MDL | MFCD00002796 |
| COE Number | 23 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 606 levulinic acid |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 123-76-2 ; LEVULINIC ACID |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 4-oxopentanoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 123-76-2 |
| Pubchem (cid): | 11579 |
| Pubchem (sid): | 134974742 |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB00720 |
| FooDB: | FDB003296 |
| Export Tariff Code: | 2918.19.9000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Levulinic acid |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 116.11636352539 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.469 to 9.553 |
| Refractive Index | 1.435 to 1.445 @ 20 °C |
| Melting Point | 30 to 33°C @ 760 mm Hg |
| Boiling Point | 245 to 246°C @ 760 mm Hg |
| Vapor Pressure | 0.011 mmHg @ 25 °C |
| Flash Point TCC Value | 137.78 °C TCC |
| logP (o/w) | -0.49 |
| Solubility | |
| alcohol | Yes |
| oils | Yes |
| water, 6.746e+005 mg/L @ 25 °C (est) | Yes |
| paraffin oil | No |
Organoleptic Properties
| Odor Type: Caramellic | |
| sweet, caramellic, acidic, buttery, guaiacol, creamy, vanilla | |
| Odor strength | medium |
| Substantivity | 400 hour(s) at 20.00 % |
| Luebke, William tgsc, (1982) | At 100.00 %. sweet caramel acidic acetoin buttery |
| Mosciano, Gerard P&F 14, No. 6, 47, (1989) | Sweet, guaiacol-like, creamy, acidic and slight vanillin-like |
| Flavor Type: Acidic | |
| acidic, sweet, creamy, dairy | |
| Mosciano, Gerard P&F 14, No. 6, 47, (1989) | At 70.00 ppm. Acidic, sweet, creamy and slight dairy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Flavoring purposes | Butterscotch , Caramel , Maple , Sugar brown sugar |
| Other purposes | Skin conditioning |
| Cosmetic purposes | Perfuming agents , Skin conditioning |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 1850 mg/kg (Moreno, 1977j) intraperitoneal-mouse LD50 450 mg/kg National Technical Information Service. Vol. AD607-952 oral-rat LD50 1850 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 847, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 847, 1979. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| cosmetic, flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 190.00 (μg/capita/day) | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 53.00000 | |
| beverages(nonalcoholic): | - | 14.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 14.00000 | |
| fruit ices: | - | 14.00000 | |
| gelatins / puddings: | - | 4.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 53.00000 | |
| 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: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):123-76-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11579 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 4-oxopentanoic acid |
| Chemidplus:0000123762 |
| RTECS:OI1575000 for cas# 123-76-2 |