3-methyl butyl 2-furyl butyrate
isoamyl 4-(2-furan)butyrate

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  7779-66-0 3-Methyl Butyl 2-furyl Butyrate

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Name: 3-methylbutyl 4-(furan-2-yl)butanoate CAS Number: 7779-66-0 3D/inchi FDA UNII: 37NU54C63L Nikkaji Web: J1.536.553F CoE Number: 2080 XlogP3-AA: 3.20 (est) Molecular Weight: 224.30000000 Formula: C13 H20 O3 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: 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: 1516 isoamyl 4-(2-furan)butyrate DG SANTE Food Flavourings: 13.021 isopentyl 4-(2-furan)butyrate FEMA Number: 2070 isoamyl 4-(2-furan)butyrate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 7779-66-0 ; ISOAMYL 4-(2-FURAN)BUTYRATE FDA Regulation: FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.   Physical Properties: Appearance: pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.97500 to 0.98100 @ 25.00 °C. Pounds per Gallon - (est).: 8.113 to 8.163 Refractive Index: 1.55100 to 1.55500 @ 20.00 °C. Boiling Point: 263.00 to 265.00 °C. @ 760.00 mm Hg Soluble in:   alcohol   water, 6.629 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: buttery sweet buttery fruity caramellic Odor Description:at 10.00 % in dipropylene glycol. sweet butter fruity caramel Flavor Type: caramellic sweet caramellic Taste Description: sweet caramel like Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3-Methyl Butyl 2-furyl Butyrate Parchem 3-Methyl Butyl 2-furyl Butyrate Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information:   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: flavoring agents Recommendation for 3-methyl butyl 2-furyl butyrate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 0.09 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 500 (μg/person/day) Threshold of Concern: 90 (μg/person/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: 3 Click here to view publication 3   average usual ppm average maximum ppm baked goods: 0.50000 8.00000 beverages(nonalcoholic): 0.03000 5.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 2.80000 fruit ices: - 2.80000 gelatins / puddings: - 5.00000 granulated sugar: - - gravies: - - hard candy: - 6.00000 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: - -   Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.   average usage mg/kg maximum usage mg/kg Dairy products, excluding products of category 02.0 (01.0): - - Fats and oils, and fat emulsions (type water-in-oil) (02.0): - - Edible ices, including sherbet and sorbet (03.0): - - Processed fruit (04.1): - - Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): - - Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): - - Bakery wares (07.0): 3.00000 - Meat and meat products, including poultry and game (08.0): - - Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): - - Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): - - Foodstuffs intended for particular nutritional uses (13.0): - - Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.30000 - Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): - - Ready-to-eat savouries (15.0): - - Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): - -   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 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 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 67 Revision 2 (FGE.67Rev2): Consideration of 28 furan-substituted compounds evaluated by JECFA at the 55th, 65th and 69th meetings (JECFA, 2001, 2006a, 2009b) 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 :68968644 National Institute of Allergy and Infectious Diseases:Data 3-methylbutyl 4-(furan-2-yl)butanoate Chemidplus:0007779660   References:   3-methylbutyl 4-(furan-2-yl)butanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 7779-66-0 Pubchem (cid): 68968644 Pubchem (sid): 135316626   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): HMDB37736 FooDB: FDB016866 Export Tariff Code: 2932.19.0000 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   Potential Blenders and core components note For Odor acidic iso butyric acid FL/FR cyclohexyl acetic acid FL/FR balsamic 2- acetyl furan FL/FR cinnamyl benzoate FL/FR bready coffee furanone FL/FR buttery acetoin FL/FR acetyl butyryl FL/FR acetyl isobutyryl FL/FR acetyl propionyl FL/FR butyl butyryl lactate FL/FR iso butyl lactate FL/FR butyl octanoate FL/FR 2,3- heptane dione FL/FR 3,4- hexane dione FL/FR caramellic 2-oxo butyric acid FL/FR caramel furanone solution FL/FR caramel pentadione FL/FR coffee dione FL/FR cyclotene FL/FR cyclotene hydrate FL/FR alpha,alpha- dimethyl anisyl acetone FL/FR ethyl 2-hydroxy-2-methyl butyrate FL/FR ethyl cyclopentenolone FL/FR ethyl furaneol FL/FR ethyl maltol FL/FR 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR fenugreek absolute FL/FR geranyl crotonate FR immortelle absolute FL/FR maltol FL/FR maltyl propionate FL/FR maple furanone FL/FR menthone lactone FL/FR mesitene lactone FR 5- methyl furfural FL/FR rosefuran FL/FR shoyu furanone FL/FR strawberry furanone FL/FR strawberry furanone acetate FL/FR strawberry furanone solution FL/FR toffee furanone FL/FR cheesy butyric acid FL/FR coconut gamma- heptalactone FL/FR gamma- nonalactone (aldehyde C-18 (so-called)) FL/FR coumarinic tonka bean resinoid FR creamy gamma- butyrolactone FL/FR waxy lactone FL/FR ethereal ethyl 4-pentenoate FL/FR ethyl pyruvate FL/FR iso valeraldehyde propylene glycol acetal FL/FR fatty butyl undecylenate FL/FR 3- decen-2-one FL/FR fermented ethyl (E)-2-crotonate FL/FR floral benzyl lactate FL/FR gamma- damascone FR alpha- damascone FL/FR jasmin pyranone FL/FR linalyl butyrate FL/FR methyl citronellate FL/FR fruity acetoin acetate FL/FR 1- acetoxyacetone FL/FR amyl 2-methyl butyrate FL/FR amyl isobutyrate FL/FR amyl isovalerate FL/FR iso amyl valerate FL/FR apple ketal FL/FR benzyl isovalerate FL/FR benzyl propionate FL/FR butyl isovalerate FL/FR iso butyl isovalerate FL/FR cyclohexyl butyrate FL/FR cyclohexyl isovalerate FL/FR gamma- decalactone FL/FR ethyl isovalerate FL/FR ethyl lactate FL/FR (E)- ethyl tiglate FL/FR ethyl valerate FL/FR fruity ketal FL/FR geranyl 2-methyl butyrate FL/FR geranyl isovalerate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl formate FL/FR methyl butyrate FL/FR methyl isovalerate FL/FR methyl valerate FL/FR nonyl isovalerate FL/FR prenyl isobutyrate FL/FR propyl heptanoate FL/FR propyl isovalerate FL/FR iso propyl isovalerate FL/FR tetrahydrofurfuryl acetate FL/FR green iso amyl 3-(2-furan) propionate FL/FR butyl heptanoate FL/FR (Z)-4- heptenal FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (Z)-3- hexenal diethyl acetal FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR (E)-2- pentenal FL/FR herbal butyl levulinate FL/FR mushroom 1- octen-3-yl butyrate FL/FR musty 3- acetyl-2,5-dimethyl furan FL/FR nutty 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR 2,3- dimethyl pyrazine FL/FR 2- ethyl pyrazine FL/FR nutty cyclohexenone FL/FR phenolic 4- methyl-2,6-dimethoxyphenol FL/FR soapy ethyl undecanoate FL/FR spicy (E)- propyl 2-furan acrylate FL/FR (E)- tiglic acid FL/FR sweet vanilla oleoresin bali FL/FR tonka tonka bean absolute FR tropical delta- dodecalactone FL/FR vanilla ethyl vanillin FL/FR vanilla oleoresin bourbon FL/FR vanillyl isobutyrate FL/FR vegetable tetrahydrofurfuryl alcohol FL/FR waxy ethyl decanoate FL/FR 2- methyl heptanoic acid FL/FR woody marine formate FR For Flavor No flavor group found for these 1- acetoxyacetone FL/FR 2- acetyl-3,4,5,6-tetrahydropyridine FL allyl 2-furoate FL amyl 2-methyl butyrate FL/FR amyl isobutyrate FL/FR amyl isovalerate FL/FR benzyl disulfide FL benzyl lactate FL/FR butyl octanoate FL/FR cinnamyl benzoate FL/FR cyclohexyl butyrate FL/FR 6- decenoic acid FL 2,5- diethyl tetrahydrofuran FL alpha,alpha- dimethyl anisyl acetone FL/FR ethyl 2-hydroxy-2-methyl butyrate FL/FR ethyl 4-pentenoate FL/FR ethyl butyryl lactate FL 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR furfuryl acetone FL geranyl 2-methyl butyrate FL/FR heptyl 2-methyl butyrate FL (Z)-3- hexenal diethyl acetal FL/FR (E)-2- hexenal dimethyl acetal FL menthone lactone FL/FR 3-( methyl thio) hexanal FL nonyl isovalerate FL/FR prenyl isobutyrate FL/FR propyl isovalerate FL/FR iso propyl isovalerate FL/FR rosefuran FL/FR sodium 4-methyl-2-oxovalerate FL strawberry furanone ethyl ether FL iso amyl 3-(2-furan) propionate FL/FR acidic acidic iso butyric acid FL/FR alliaceous 3- tetrahydrothiophenone FL bready mango furanone FL brown 2-oxo butyric acid FL/FR 5- methyl furfural FL/FR tetrahydrofurfuryl acetate FL/FR (E)- tiglic acid FL/FR burnt furfuryl alcohol FL buttery iso butyl lactate FL/FR butyroin FL diacetyl FL 2,3- heptane dione FL/FR 3,4- hexane dione FL/FR (E)-2- pentenoic acid FL caramellic caramel dione FL caramel furanone FL caramel furanone solution FL/FR caramel pentadione FL/FR cyclotene FL/FR cyclotene hydrate FL/FR ethyl furaneol FL/FR ethyl maltol FL/FR 5- ethyl-3,4,5,6-tetramethyl cyclohexen-2-one FL fenugreek absolute FL/FR lucuma flavor FL maltol FL/FR maltyl propionate FL/FR maple furanone FL/FR pyruvaldehyde FL shoyu furanone FL/FR strawberry furanone FL/FR strawberry furanone acetate FL/FR strawberry furanone solution FL/FR toffee furanone FL/FR coconut gamma- nonalactone (aldehyde C-18 (so-called)) FL/FR coffee coffee dione FL/FR 2- thiophene thiol FL creamy acetoin FL/FR acetyl butyryl FL/FR acetyl isobutyryl FL/FR butyl butyryl lactate FL/FR 5,5- dibutyl dihydrofuran-2(3H)-one FL delta- dodecalactone FL/FR jasmin pyranone FL/FR waxy lactone FL/FR fatty diacetyl trimer FL 2,4- undecadienal FL (E,E)-2,4- undecadienal FL floral linalyl butyrate FL/FR methyl citronellate FL/FR fruity acetoin acetate FL/FR acetyl isovaleryl FL iso amyl valerate FL/FR apple ketal FL/FR benzyl isovalerate FL/FR benzyl propionate FL/FR butyl heptanoate FL/FR butyl isovalerate FL/FR cyclohexyl isovalerate FL/FR alpha- damascone FL/FR gamma- decalactone FL/FR ethyl isovalerate FL/FR ethyl lactate FL/FR (E)- ethyl tiglate FL/FR ethyl valerate FL/FR fruity ketal FL/FR furfuryl valerate FL (Z)-3- hexen-1-yl isobutyrate FL/FR methyl isovalerate FL/FR methyl valerate FL/FR 2- pentanoyl furan FL (E)- propyl 2-furan acrylate FL/FR iso valeraldehyde propylene glycol acetal FL/FR fusel methyl butyrate FL/FR green iso butyl isovalerate FL/FR 3- decen-2-one FL/FR 2- furyl acetone FL geranyl isovalerate FL/FR (Z)-4- heptenal FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl formate FL/FR hexyl isobutyrate FL/FR immortelle absolute FL/FR (E)-2- pentenal FL/FR herbal butyl levulinate FL/FR 5- hydroxymethyl furfural FL jammy ethyl cyclopentenolone FL/FR lactonic gamma- heptalactone FL/FR milky gamma- butyrolactone FL/FR mushroom 1- octen-3-yl butyrate FL/FR musty ethyl (E)-2-crotonate FL/FR nutty 2- acetyl furan FL/FR 3- acetyl-2,5-dimethyl furan FL/FR 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR coffee furanone FL/FR 2,3- dimethyl pyrazine FL/FR 2- ethyl pyrazine FL/FR nutty cyclohexenone FL/FR peanut oxazole FL tetrahydrofurfuryl alcohol FL/FR phenolic 4- methyl-2,6-dimethoxyphenol FL/FR rummy ethyl pyruvate FL/FR sour butyric acid FL/FR sweet cyclohexyl acetic acid FL/FR molasses flavor FL vanilla oleoresin bali FL/FR toasted acetyl propionyl FL/FR vanilla ethyl vanillin FL/FR vanilla oleoresin bourbon FL/FR vanillyl isobutyrate FL/FR waxy butyl undecylenate FL/FR ethyl decanoate FL/FR ethyl undecanoate FL/FR furfuryl octanoate FL 2- methyl heptanoic acid FL/FR propyl heptanoate FL/FR   Potential Uses: FL butter FL caramel   Occurrence (nature, food, other):note   not found in nature   Synonyms: iso amyl 2-furan butyrate iso amyl 4-(2-furan) butyrate iso amyl 4-(2-furan)butyrate alpha-iso amyl furfuryl propionate 3- methyl butyl 2-furan butanoate 3- methyl butyl 2-furan butyrate 3- methylbutyl 2-furanbutanoate 3- methylbutyl 2-furanbutyrate 3- methylbutyl 2-furylbutyrate 3- methylbutyl 4-(furan-2-yl)butanoate iso pentyl 2-furan butyrate iso pentyl 4-(2-furan)butyrate   Articles:   None found yet. 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Notes: Flavouring ingredient