furfuryl isobutyrate
2-methylpropanoic acid 2-furanylmethyl ester

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  6270-55-9 Furfuryl Isobutyrate

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CAS Number: 6270-55-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 228-453-1 FDA UNII: Search Nikkaji Web: J211.506I CoE Number: 10641 XlogP3-AA: 1.80 (est) Molecular Weight: 168.19224000 Formula: C9 H12 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 DG SANTE Food Flavourings: 13.133 furfuryl isobutyrate   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.02800 to 1.03400 @ 25.00 °C. Pounds per Gallon - (est).: 8.554 to 8.604 Refractive Index: 1.49700 to 1.50300 @ 20.00 °C. Boiling Point: 203.00 to 204.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.274000 mmHg @ 25.00 °C. (est) Flash Point: 188.00 °F. TCC ( 86.67 °C. ) logP (o/w): 1.966 (est) Soluble in:   alcohol   water, 606.1 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity fruity coffee Odor Description:at 10.00 % in dipropylene glycol. fruity coffee Flavor Type: fruity fruity quince Taste Description: fruity quince-like Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Furfuryl Isobutyrate 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 furfuryl isobutyrate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.89 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day) Adequate NOAEL exists: Yes Threshold of Concern: 90 (μg/person/day) Structure Class: III   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): 7.00000 35.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.00000 25.00000 Edible ices, including sherbet and sorbet (03.0): 10.00000 50.00000 Processed fruit (04.1): 7.00000 35.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 10.00000 50.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.00000 25.00000 Bakery wares (07.0): 10.00000 50.00000 Meat and meat products, including poultry and game (08.0): 2.00000 10.00000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.00000 10.00000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.00000 25.00000 Foodstuffs intended for particular nutritional uses (13.0): 10.00000 50.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.00000 25.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.00000 50.00000 Ready-to-eat savouries (15.0): 20.00000 100.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.00000 25.00000   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 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 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 AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :80454 National Institute of Allergy and Infectious Diseases:Data furan-2-ylmethyl 2-methylpropanoate Chemidplus:0006270559   References:   furan-2-ylmethyl 2-methylpropanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 6270-55-9 Pubchem (cid): 80454 Pubchem (sid): 135036747   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 HMDB (The Human Metabolome Database): Search Export Tariff Code: 2915.60.0000 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   Potential Blenders and core components note For Odor alliaceous methyl furfuryl disulfide FL/FR balsamic 2- acetyl furan FL/FR caramellic caramel furanone solution FL/FR coffee dione FL/FR cyclotene FL/FR fenugreek oleoresin FL/FR 5- methyl furfural FL/FR chocolate 2,6- dimethyl pyrazine FL/FR 2,4,5- trimethyl thiazole FL/FR cocoa 2- methyl butyraldehyde FL/FR coffee cichorium intybus root extract FL/FR cichorium intybus root solid extract FL/FR roasted coffea arabica seed extract FL/FR coffea arabica seed extract FL/FR coffea arabica seed oil FL/FR coffee absolute FL/FR arabica coffee bean butter FL/FR roasted arabica coffee bean essence FL/FR roasted coffee bean extract FL/FR roasted arabica coffee bean oil FL/FR roasted arabica coffee bean oil CO2 extract FL/FR coffee bean oil extract FL/FR coffee difuran FL/FR coffee resinoid FL/FR furfuryl mercaptan FL/FR 1- hydroxy-2-butanone FL/FR 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR earthy nutty pyrazine FL/FR fruity tropical thiazole FL/FR herbal wormwood oil america FL/FR wormwood oil italy FL/FR wormwood oil poland FL/FR medicinal 2,6- xylenol FL/FR moldy strawberry furanone methyl ether FL/FR musty menthofuran FL/FR nutty 3,5- cocoa pyrazine FL/FR 2,3- dimethyl pyrazine FL/FR 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR 2- ethyl pyrazine FL/FR 2- ethyl-4-methyl thiazole FL/FR filbert heptenone FL/FR filbert heptenone B FL/FR 5- methyl quinoxaline FL/FR sesame absolute FL/FR sesame absolute CO2 extract FL/FR phenolic para-alpha- dimethyl styrene FL/FR popcorn 2- acetyl pyrazine FL/FR roasted fenugreek resinoid FL/FR trigonella foenum-graecum seed oil CO2 extract FL/FR sulfurous benzothiazole FL/FR furfuryl thioacetate FL/FR S- furfuryl thioformate FL/FR 2- methyl 5-(methyl thio) furan FL/FR sweet 2- hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one FL/FR vegetable 1- furfuryl pyrrole FL/FR woody juniper berry oleoresin FL/FR For Flavor No flavor group found for these 2- acetyl-6-methyl pyrazine FL 2,5- dimethyl-3-thiofuroyl furan FL 2- formyl pyrrole FL 2- hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one FL/FR 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR pyrazines mixture FL alliaceous alliaceous benzyl mercaptan FL dicyclohexyl disulfide FL tropical thiazole FL/FR brown fenugreek oleoresin FL/FR 1- hydroxy-2-butanone FL/FR 5- methyl furfural FL/FR burnt furfuryl alcohol FL 2- methyl quinoxaline FL 2,6- xylenol FL/FR caramellic caramel furanone solution FL/FR cyclotene FL/FR fenugreek resinoid FL/FR coffee cichorium intybus root extract FL/FR cichorium intybus root solid extract FL/FR coffea arabica seed extract FL/FR roasted coffea arabica seed extract FL/FR coffea arabica seed oil FL/FR coffee absolute FL/FR arabica coffee bean butter FL/FR roasted arabica coffee bean essence FL/FR roasted coffee bean extract FL/FR roasted arabica coffee bean oil CO2 extract FL/FR coffee bean oil extract FL/FR coffee difuran FL/FR coffee dione FL/FR coffee distillates FL coffee pyrazine FL coffee resinoid FL/FR difurfuryl ether FL diisoamyl thiomalate FL 2,4- dimethyl thiazole FL 2- ethyl-4-methyl thiazole FL/FR furfuryl mercaptan FL/FR methyl furfuryl disulfide FL/FR methyl furfuryl thiol FL 2- thiophene thiol FL earthy difurfuryl sulfide FL fruity furfuryl isovalerate FL furfuryl propionate FL fusel 2- methyl butyraldehyde FL/FR green 2- methyl-5-isopropyl pyrazine FL herbal wormwood oil america FL/FR wormwood oil italy FL/FR wormwood oil poland FL/FR meaty benzothiazole FL/FR 2,6- dimethyl pyrazine FL/FR 3- mercapto-2-butanone FL 2- methyl 3-(methyl thio) furan FL molasses molasses blackstrap FL moldy strawberry furanone methyl ether FL/FR mustard furfuryl methyl ether FL musty 2- ethoxythiazole FL menthofuran FL/FR 2- methyl 5-(methyl thio) furan FL/FR nutty 2- acetyl furan FL/FR 3,5- cocoa pyrazine FL/FR 2,3- dimethyl pyrazine FL/FR 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR 2- ethyl pyrazine FL/FR 1- ethyl-2-acetyl pyrrole FL filbert heptenone FL/FR filbert heptenone B FL/FR 5- methyl quinoxaline FL/FR nutty pyrazine FL/FR nutty thiazole FL sesame absolute FL/FR sesame absolute CO2 extract FL/FR 2,4,5- trimethyl thiazole FL/FR onion furfuryl isopropyl sulfide FL roasted 2- acetyl pyrazine FL/FR roasted arabica coffee bean oil FL/FR ethyl 3-(furfuryl thio) propionate FL furfuryl thioacetate FL/FR trigonella foenum-graecum seed oil CO2 extract FL/FR solvent 2- ethyl furan FL spicy para-alpha- dimethyl styrene FL/FR sulfurous 2,3- butane dithiol FL butyl mercaptan FL ethyl methyl sulfide FL S- ethyl thioacetate FL S- furfuryl thioformate FL/FR furfuryl thiopropionate FL 2- thienyl mercaptan FL vegetable 1- furfuryl pyrrole FL/FR woody juniper berry oleoresin FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   coffee Search PMC Picture   Synonyms: iso butyric acid furfuryl ester   furan-2-ylmethyl 2-methylpropanoate   furfuryl 2-methyl propionate   furfuryl 2-methylpropionate 2- furylmethyl 2-methylpropanoate 2- methyl propanoic acid 2-furanyl methyl ester 2- methylpropanoic acid 2-furanylmethyl ester   propanoic acid, 2-methyl-, 2-furanylmethyl ester   Articles: US Patents:3,952,024 - Furfurylthioacetone US Patents:Flavoring agent

Notes: None found