| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 19322-27-1 |
| ECHA EC Number: | 242-961-0 |
| FDA UNII: | MTB57102LQ |
| CoE Number: | 11785 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | toffee furanone |
| InChI : | InChI=1/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3 |
| Std.InChI: | InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3 |
| InChIKey : | DLVYTANECMRFGX-UHFFFAOYAB |
| Std.InChIKey: | DLVYTANECMRFGX-UHFFFAOYSA-N |
| SMILES : | CC1=C(C(=O)CO1)O |
| MDL: | MFCD02752619 |
| Molar Refractivity : | 26.07 ± 0.3 cm3 (est) |
| Parachor : | 223.2 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.544 ± 0.02 (est) |
| Surface Tension : | 53.6 ± 3.0 dyne/cm (est) |
| Density : | 1.382 ± 0.06 g/cm3 (est) |
| Polarizability : | 10.33 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1450 4-hydroxy-5-methyl-3(2H)-furanone |
| DG SANTE Food Flavourings: | 13.085 4-hydroxy-5-methylfuran-3(2H)-one |
| FEMA Number: | 3635 4-hydroxy-5-methyl-3(2H)-furanone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 19322-27-1 ; 4-HYDROXY-5-METHYL-3(2H)-FURANONE |
| Appearance: | white to brown crystals (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 126.00 to 133.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 215.00 to 217.00 °C. @ 760.00 mm Hg |
| Acid Value: | 4.00 max. KOH/g |
| Vapor Pressure: | 0.027000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 207.00 °F. TCC ( 97.22 °C. ) |
| logP (o/w): | -0.611 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| dipropylene glycol | |
| propylene glycol | |
| water, 4.739e+004 mg/L @ 25 °C (est) | |
| None found |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 20/22 - Harmful by inhalation and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 22 - Do not breath dust. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| 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 | |||
| Recommendation for toffee furanone usage levels up to: | |||
| 0.1000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 5.60 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.07 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 20.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | 20.00000 | |
| fish products: | - | 35.00000 | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 10.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | 10.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 35.00000 | |
| milk products: | - | - | |
| nut products: | - | 20.00000 | |
| other grains: | - | - | |
| poultry: | - | 35.00000 | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | 1.00000 | |
| snack foods: | - | 35.00000 | |
| soft candy: | - | - | |
| soups: | - | 10.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | 20.00000 | |
| 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): |
| Flavouring Group Evaluation 220: alpha,beta-Unsaturated ketones and precursors from chemical subgroup 4.4 of FGE.19: 3(2H)-Furanones View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 220, Revision 1 (FGE.220Rev1): alpha,beta-Unsaturated ketones and precursors from chemical subgroup 4.4 of FGE.19: 3(2H)-Furanones View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 99 (FGE.99): Consideration of furanone derivatives evaluated by the JECFA (63rd, 65th and 69th meetings) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 220, Revision 2 (FGE.220Rev1): a,�-Unsaturated ketones and precursors from chemical subgroup 4.4 of FGE.19: 3(2H)-Furanones View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 220 Revision 3 (FGE.220Rev3): Consideration of genotoxic potential for a,�-unsaturated 3(2H)-Furanones from subgroup 4.4 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 99 Revision 1 (FGE.99Rev1): Consideration of furanone derivatives evaluated by the JECFA (63rd, 65th and 69th meetings) View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):19322-27-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :4564493 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 4-hydroxy-5-methylfuran-3-one |
| Chemidplus:0019322271 |
| 4-hydroxy-5-methylfuran-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 19322-27-1 |
| Pubchem (cid): | 4564493 |
| Pubchem (sid): | 135257955 |
| Flavornet: | 19322-27-1 |
| (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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31859 |
| FooDB: | FDB008543 |
| Export Tariff Code: | 2932.19.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
| FL | caramel |
| FR | cotton candy |
| FL | sugar |
| FR | tobacco |
| FR | toffee |
| chicory furaneol | |
| chicory furanone | |
| chicory furanone 5% in PG natural | |
| chicory furanone 5% in PG synthetic | |
| chicory furanone synthetic | |
| furan-3(2H)-one, 4-hydroxy-5-methyl- | |
| nor | furaneol |
| 3(2H)- | furanone, 4-hydroxy-5-methyl- |
| 4- | hydroxy-5-methyl furan-3-one |
| 4- | hydroxy-5-methyl furan-3(2H)-one |
| 4- | hydroxy-5-methyl-2-hydrofuran-3-one |
| 4- | hydroxy-5-methyl-2,3-dihydrofuran-3-one |
| 4- | hydroxy-5-methyl-3-(2H)-furanone |
| 4- | hydroxy-5-methyl-3-(2H)furanone |
| 4- | hydroxy-5-methyl-3-furanone |
| 4- | hydroxy-5-methyl-3(2H)-furanone |
| 4- | hydroxy-5-methyl-3(2H)furanone |
| 4- | hydroxy-5-methylfuran-3-one |
| 4- | hydroxy-5-methylfuran-3(2H)-one |
| 4- | hyroxy-5-methyl-3-furanone |
| methyl furaneol | |
| 5- | methyl-4-hydroxy-2,3-dihydrofuran-3-one |
| 5- | methyl-4-hydroxy-3,2H-furanone |
| 5- | methyl-4-hydroxy-3(2H)-furanone |
