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methyl 2-furoate
General Material Information
| Preferred name | methyl 2-furoate |
| Trivial Name | Methyl 2-furoate |
| Short Description | 2-furancarboxylic acid, methyl ester |
| Formula | C6 H6 O3 |
| CAS Number | 611-13-2 |
| FEMA Number | 2703 |
| Flavis Number | 13.002 |
| ECHA Number | 210-254-6 |
| FDA UNII | O9A8D29YDE |
| Nikkaji Number | J7.016E |
| Beilstein Number | 0111110 |
| MDL | MFCD00003236 |
| COE Number | 358 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 746 methyl 2-furoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 611-13-2 ; METHYL 2-FUROATE |
| 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
| methyl furan-2-carboxylate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 611-13-2 |
| Pubchem (cid): | 11902 |
| Pubchem (sid): | 134976196 |
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): | HMDB29750 |
| FooDB: | FDB000952 |
| Export Tariff Code: | 2932.19.5000 |
| 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 | 126.11141967773 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.736 to 9.819 |
| Refractive Index | 1.48 to 1.49 @ 20 °C |
| Boiling Point | 181 to 182°C @ 760 mm Hg |
| Boiling Point | 81 to 82°C @ 20 mm Hg |
| Vapor Pressure | 0.858 mmHg @ 25 °C |
| Vapor Density | 3.7 |
| Flash Point TCC Value | 73.33 °C TCC |
| logP (o/w) | 1 |
| Solubility | |
| alcohol | Yes |
| water, 1.332e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fungal | |
| fruity, mushroom, fungal, tobacco, sweet | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 64 hour(s) at 100.00 % |
| Luebke, William tgsc, (1994) | At 10.00 % in dipropylene glycol. fruity mushroom fungus tobacco sweet |
| Flavor Type: Caramellic | |
| sweet, caramellic, sugar brown sugar, musty | |
| Luebke, William tgsc, (1994) | Sweet caramel brown sugar musty |
| Can be used to add brown sugar/caramel notes to a variety of flavors, especially rum, nut, and coffee. Useful to impart musty notes of mushroom. | Sweet, caramel, brown sugar, slightly musty |
| General comment | Sweet caramel brown sugar musty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Almond, Coffee, Filbert, Fungus, Peanut, Peppermint, Tobacco |
| Flavoring purposes | Brandy, Chocolate cocoa, Nut, Tomato |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 21/22 - Harmful in contact with skin and 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 36/37/39 - 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. | |
| Human Experience: | |
| 10 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| gavage-rat LD50 [sex: M,F] 300 mg/kg (Great Lakes Chem. Corp,1998) oral-rat LD50 300 mg/kg BEHAVIORAL: ATAXIA BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA National Technical Information Service. Vol. OTS0559247 intraperitoneal-rat LDLo 75 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 174, 1936. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 1250 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 869, 1979. | |
| 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 methyl 2-furoate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 30.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 37.00 (μg/capita/day) | ||
| Threshold of Concern: | 540 (μg/person/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.00000 | 1.30000 | |
| beverages(nonalcoholic): | - | 0.61000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.02000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.06000 | 1.30000 | |
| fruit ices: | 0.06000 | 1.30000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.66000 | |
| 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) related to Flavouring Group Evaluation 13 (FGE.13); Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 (Commission Regulation (EC) No 1565/2000 of 18 View page or View pdf |
| Flavouring Group Evaluation 66 (FGE.66)[1]:Consideration of furfuryl alcohol and related flavouring substances evaluated by JECFA (55th meeting) structurally related to Furfuryl and furan derivatives with and without additional side chain substituents and heteroatoms evaluated by EFSA in FGE.13 (2005) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
| Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 evaluated by EFSA in FGE.13Rev1 (2009) 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 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 66, Revision 1 (FGE.66Rev1): Consideration of Furfuryl Alcohol and Related Flavouring Substances Evaluated by JECFA (55th meeting) 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 |
| Safety and efficacy of furfuryl and furan derivatives belonging to chemical group 14 when used as flavourings for all animal species and categories View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 13 Revision 3 (FGE.13Rev3): furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 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):611-13-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11902 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2810 |
| WGK Germany:3 |
| methyl furan-2-carboxylate |
| Chemidplus:0000611132 |
| RTECS:LV1950000 for cas# 611-13-2 |