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strawberry furanone butyrate
General Material Information
| Preferred name | strawberry furanone butyrate |
| Trivial Name | 4,5-Dihydro-2,5-dimethyl-4-oxo-3-furanyl butanoate |
| Short Description | 2,5-dimethyl-3-oxo-(2H)-fur-4-yl butyrate |
| Formula | C10 H14 O4 |
| CAS Number | 114099-96-6 |
| FEMA Number | 3970 |
| Flavis Number | 13.176 |
| FDA UNII | 9DX0J398K6 |
| MDL | MFCD08457803 |
| xLogP3-AA | 1.60 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1519 2,5-dimethyl-3-oxo-(2H)-fur-4-yl butyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 114099-96-6 ; 4,5-DIHYDRO-2,5-DIMETHYL-4-OXO-3-FURANYL BUTYRATE |
| 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
| (2,5-dimethyl-4-oxofuran-3-yl) butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 19872333 |
| Pubchem (sid): | 131295233 |
| Publications by Info | |
| substances containing furan substitution | |
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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB009287 |
| Export Tariff Code: | 2932.19.5100 |
| 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 |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 198.21838378906 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.111 to 9.178 |
| Refractive Index | 1.467 to 1.473 @ 20 °C |
| Acid Value | 5 max KOH/g |
| Vapor Pressure | 0.003 mmHg @ 25 °C |
| Flash Point TCC Value | 123.3 °C TCC |
| logP (o/w) | 1.868 est |
| Shelf life | 12 months (or longer if stored properly.) |
| Storage notes | Store under nitrogen. |
| Solubility | |
| alcohol | Yes |
| water, 183.9 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| sweet, ethereal, fruity, tropical, green, weedy, earthy, wasabi | |
| Luebke, William tgsc, (2017) | At 100.00 %. sweet ethereal fruity tropical green weedy earthy wasabi |
| Flavor Type: Fruity | |
| ethereal, fruity, tropical, green, wasabi, earthy, asparagus, beany | |
| Luebke, William tgsc, (2017) | Ethereal fruity tropical green wasabi earthy asparagus beany |
Potential Uses
| Applications | |
| Odor purposes | Almond , Apple , Balsam , Butter , Herbal , Spice |
| Flavoring purposes | Fish |
Safety Information
Safety information
| Preferred SDS: View | |
| 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 | |
Safety in use information
| 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 strawberry furanone butyrate usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 12.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 4.00 (μg/capita/day) | ||
| Structure Class: | III | ||
| 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: 20 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 8.00000 | 16.00000 | |
| beverages(nonalcoholic): | 4.00000 | 8.00000 | |
| beverages(alcoholic): | 4.00000 | 8.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 20.00000 | 40.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 6.00000 | 12.00000 | |
| fruit ices: | 4.00000 | 8.00000 | |
| gelatins / puddings: | 6.00000 | 12.00000 | |
| granulated sugar: | - | - | |
| gravies: | 4.00000 | 8.00000 | |
| hard candy: | 8.00000 | 16.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 4.00000 | 8.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 6.00000 | 12.00000 | |
| soups: | 4.00000 | 8.00000 | |
| 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): |
| 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 |
| Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) 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 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) 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,ß-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,ß-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 |
| Scientific Opinion on Flavouring Group Evaluation 67, Revision 3 (FGE.67Rev3): consideration of 23 furan-substituted compounds evaluated by JECFA at the 55th, 65th, 69th and 86th meetings View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :19872333 |
| National Institute of Allergy and Infectious Diseases:Data |
| (2,5-dimethyl-4-oxofuran-3-yl) butanoate |
| Chemidplus:0114099966 |