2,5-dimethyl-3-thiofuroyl furan
2,5-dimethyl-3-thiofuroylfuran

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  65505-16-0 2,5-Dimethyl-3-thiofuroylfuran

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  A0294 2,5-DIMETHYL-3-THIOFUROYL FURAN, Kosher

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  2,5-Dimethyl-3-thiofuroylfuran

Name: 3-(2-furoylthio)-2,5-dimethylfuran CAS Number: 65505-16-0 3D/inchi ECHA EINECS - REACH Pre-Reg: 265-796-6 FDA UNII: UKO0R8C89U Nikkaji Web: J307.421H CoE Number: 2323 XlogP: 1.60 (est) Molecular Weight: 222.26330000 Formula: C11 H10 O3 S NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: JECFA evaluated (S)-2,5-dimethyl-3-thiofuroylfuran (CASrn as in Register). Register CASrn refers to the (S)-enantiomer. Register name to be changed to (S)-2,5-dimethyl-3-thiofuroylfuran. 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: 1071 2,5-dimethyl-3-thiofuroylfuran DG SANTE Food Flavourings: 13.040 2,5-dimethyl-3-thiofuroylfuran   Physical Properties: Appearance: yellow clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.04700 to 1.05800 @ 25.00 °C. Pounds per Gallon - (est).: 8.712 to 8.804 Refractive Index: 1.51200 to 1.51900 @ 20.00 °C. Boiling Point: 79.00 to 83.00 °C. @ 0.70 mm Hg Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est) Flash Point: 262.00 °F. TCC ( 127.78 °C. ) logP (o/w): 2.506 (est) Soluble in:   alcohol   water, 12.99 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: coffee coffee meaty roasted meaty Odor Description:at 0.10 % in dipropylene glycol. coffee roasted meaty Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 2,5-Dimethyl-3-thiofuroylfuran DeLong Chemicals America 2,5-Dimethyl-3-thiofuroylfuran, Kosher M&U International 2,5-DIMETHYL-3-THIOFUROYL FURAN, Kosher Parchem 2,5-dimethyl-3-thiofuroyl furan Penta International 2,5-DIMETHYLTHIOFUROYLFURAN WholeChem 2,5-Dimethyl-3-thiofuroylfuran   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: gavage-mouse LD50 [sex: M,F] 625 mg/kg (Fogleman & Suppers, 1974b) gavage-mouse LD50 [sex: M,F] 625 mg/kg (Fogleman & Suppers, 1974a) gavage-mouse LD50 [sex: M,F] 540 mg/kg (Moran et al., 1980) Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for 2,5-dimethyl-3-thiofuroyl furan usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day) NOEL (No Observed Effect Level): 0.74 (mg/kg bw per 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: 10 Click here to view publication 10   average usual ppm average maximum ppm baked goods: - 0.20000 beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - 0.20000 hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - 0.20000 milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - 0.20000 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 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 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 65, Revision 1 (FGE.65Rev1): 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.13Rev2 (2011) View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):65505-16-0 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :53230316 National Institute of Allergy and Infectious Diseases:Data 3-(2-furoylthio)-2,5-dimethylfuran Chemidplus:0065505160   References:   3-(2-furoylthio)-2,5-dimethylfuran NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 65505-16-0 Pubchem (cid): 53230316 Pubchem (sid): 135194486   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): HMDB10382 FooDB: FDB019210 Export Tariff Code: 2932.19.0000 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 dimethyl trisulfide FL/FR methyl furfuryl disulfide FL/FR balsamic 2- acetyl furan FL/FR burnt rum ether 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 fermented ethyl crotonate FL/FR fruity tropical thiazole FL/FR tropical trithiane FL/FR green 2- heptyl furan FL/FR (E,Z)-2,6- nonadienal FL/FR herbal wormwood oil america FL/FR wormwood oil italy FL/FR wormwood oil poland FL/FR meaty meaty dithiane FL/FR 4- methyl nonanoic acid FL/FR sulfurol FL/FR sulfuryl acetate FL/FR medicinal 2,6- xylenol FL/FR moldy strawberry furanone methyl ether FL/FR musty hazelnut pyrazine FL/FR 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 2- methyl thio-3,5 or 6-methyl pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR sesame absolute FL/FR sesame absolute CO2 extract FL/FR 2,3,5,6- tetramethyl pyrazine FL/FR phenolic 2,3- dimethyl benzofuran FL/FR para-alpha- dimethyl styrene FL/FR ortho- guaiacol FL/FR 4- vinyl phenol FL/FR popcorn 2- acetyl pyrazine FL/FR roasted fenugreek resinoid FL/FR trigonella foenum-graecum seed oil CO2 extract FL/FR smoky pyroligneous acids FL/FR sulfurous benzothiazole FL/FR ethyl 2-mercaptopropionate FL/FR ethyl 3-mercaptopropionate FL/FR fish thiol FL/FR furfuryl thioacetate FL/FR S- furfuryl thioformate FL/FR 2- mercaptopropionic acid FL/FR 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR 2- methyl 5-(methyl thio) furan FL/FR 2-( methyl thio) phenol FL/FR 1- phenethyl mercaptan FL/FR sweet 2- hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one FL/FR tobacco methyl benzoxole FL/FR vegetable 1- furfuryl pyrrole FL/FR woody juniper berry oleoresin FL/FR For Flavor No flavor group found for these 4- acetyl-2-methyl pyrimidine FL 2- acetyl-6-methyl pyrazine FL amyl mercaptan FL 1,2- butane dithiol FL 2-(2- butyl)-4,5-dimethyl-3-thiazoline FL 2,5- diethyl thiazole FL dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine FL dimethyl tetrasulfide FL 2,6- dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone FL bis(2,5- dimethyl-3-furyl) disulfide FL (Z+E)-2,5- dimethyl-3-tetrahydrofuran thiol FL (Z+E)-2,5- dimethyl-3-thioacetoxytetrahydrofuran FL S- ethyl 2-acetyl aminoethane thioate FL ethyl 3-mercaptopropionate FL/FR 2- ethyl-3-methyl thiopyrazine FL (Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL (Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL 2- formyl pyrrole FL 2- hexyl thiophene FL 2- hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one FL/FR 1-(3- hydroxy-5-methyl-2-thienyl) ethanone FL 3- mercapto-3-methyl butyl formate FL 4- mercapto-3-methyl-2-butanol FL 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR methyl dihydrofuran thiol FL 2- methyl thiazolidine FL 2- methyl-1-butane thiol FL 4- methyl-2-(methyl thiomethyl)-2-hexenal FL 2- methyl-2-thiazoline FL 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR 3-((2- methyl-3-furyl)thio)-4-heptanone FL 4-((2- methyl-3-furyl)thio)-5-nonanone FL 1,9- nonane dithiol FL 1- phenethyl mercaptan FL/FR iso propyl disulfide FL 2-iso propyl-3-(methyl thio) pyrazine FL pyrazines mixture FL thiazole FL 3- thienyl mercaptan FL thioacetic acid FL 3,5- diisopropyl-1,2,4-trithiolane FL 3,5- dimethyl-1,2,4-trithiolane FL 3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide FL 2,4- dimethyl-3-oxazoline FL 4- mercapto-2-pentanone 1% in acetoin FL 2- methyl-1-methyl thio-2-butene FL pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine FL 1-(2- thienyl) butanone FL alliaceous alliaceous allyl disulfide FL allyl mercaptan FL benzyl mercaptan FL 1,3- butane dithiol FL cyclopentyl mercaptan FL dicyclohexyl disulfide FL dimethyl trisulfide FL/FR 3- mercapto-2-pentanone FL 3- tetrahydrothiophenone FL tropical thiazole FL/FR brown fenugreek oleoresin FL/FR 1- hydroxy-2-butanone FL/FR 5- methyl furfural FL/FR burnt bacon dithiazine FL furfuryl alcohol FL 1,6- hexane dithiol FL 2- methyl quinoxaline FL rum ether FL/FR 2,6- xylenol FL/FR caramellic caramel furanone FL caramel furanone solution FL/FR cyclotene FL/FR fenugreek resinoid FL/FR chemical 2,3- dimethyl benzofuran FL/FR 2,5- dimethyl furan FL 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 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 1,8- octane dithiol FL eggy iso propyl mercaptan FL fatty 2- heptyl furan FL/FR 4- methyl nonanoic acid FL/FR 2- pentyl thiophene FL fruity furfuryl isobutyrate FL furfuryl isovalerate FL furfuryl propionate FL tropical trithiane FL/FR fusel 2- methyl butyraldehyde FL/FR green 4- methyl thiazole FL 2- methyl-5-isopropyl pyrazine FL (E,Z)-2,6- nonadienal FL/FR 4- penten-1-yl acetate FL herbal wormwood oil america FL/FR wormwood oil italy FL/FR wormwood oil poland FL/FR meaty 4- allyl-2,6-dimethoxyphenol FL benzothiazole FL/FR 2,6- dimethyl pyrazine FL/FR 2,6- dimethyl thiophenol FL 2,5- dimethyl-3-furan thiol FL 1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% FL furfuryl 2-methyl-3-furyl disulfide FL meaty dithiane FL/FR 3- mercapto-2-butanone FL (R,S)-2- mercapto-3-butanol FL 2- mercaptomethyl pyrazine FL 2- mercaptopropionic acid FL/FR 2- methyl 3-(methyl thio) furan FL 2-( methyl thio) phenol FL/FR methyl thiofuryl butanal FL 12- methyl tridecanal FL bis(2- methyl-3-furyl) disulfide FL S-(2- methyl-3-furyl) ethane thioate FL 2- methyl-3-tetrahydrofuran thiol FL 2- methyl-3-thioacetoxytetrahydrofuran FL phenyl mercaptan FL propyl 2-mercaptopropionate FL pyrazinyl ethane thiol FL 2- pyridinyl methane thiol FL sulfurol FL/FR sulfuryl acetate FL/FR thialdine FL ortho- thiocresol FL ortho- thioguaiacol FL metallic 2,5- dihydroxy-1,4-dithiane FL molasses molasses blackstrap FL moldy strawberry furanone methyl ether FL/FR mustard furfuryl methyl ether FL musty 2- ethoxythiazole FL hazelnut pyrazine FL/FR menthofuran FL/FR 2- methyl 5-(methyl thio) furan FL/FR nutty 2- acetyl furan FL/FR 3- acetyl-2,5-dimethyl thiophene FL 2- acetyl-4-methyl thiazole FL 3,5- cocoa pyrazine FL/FR 3,5(6)- cocoa pyrazine FL 3,5- diethyl-2-methyl pyrazine FL 2,5- diethyl-3-methyl pyrazine FL 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 methyl benzoxole FL/FR 5- methyl quinoxaline FL/FR 2- methyl thio-3,5 or 6-methyl pyrazine FL/FR nutty pyrazine FL/FR nutty thiazole FL sesame absolute FL/FR sesame absolute CO2 extract FL/FR 2,3,5,6- tetramethyl pyrazine FL/FR 2,4,5- trimethyl thiazole FL/FR onion ethyl 2-mercaptopropionate FL/FR furfuryl isopropyl sulfide FL phenolic 2- ethyl benzene thiol FL 4- vinyl phenol FL/FR popcorn 2- propionyl-2-thiazoline FL radish 3-( methyl thio) propyl mercaptoacetate FL roasted 2- acetyl pyrazine FL/FR roasted arabica coffee bean oil FL/FR ethyl 3-(furfuryl thio) propionate FL furfuryl thioacetate FL/FR hexyl mercaptan FL trigonella foenum-graecum seed oil CO2 extract FL/FR rummy ethyl crotonate FL/FR smoky prosopis juliflora wood extract FL pyroligneous acids 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 fish thiol FL/FR S- furfuryl thioformate FL/FR furfuryl thiopropionate FL methyl 2-methyl-3-furyl disulfide FL 3- methyl-2-butane thiol FL 2- naphthyl mercaptan FL roasted butanol FL 2- thienyl mercaptan FL vegetable 1- furfuryl pyrrole FL/FR tyramine FL wasabi 2-( methyl thio) ethyl acetate FL woody ortho- guaiacol FL/FR juniper berry oleoresin FL/FR yeasty faex extracts FL   Potential Uses: FL coffee FL meat   Occurrence (nature, food, other):note   not found in nature   Synonyms: S-(2,5- dimethyl-3-furanyl) 2-furancarbothioate S-2,5- dimethyl-3-furyl thio-2-furoate S-(2,5- dimethyl-3-furyl) furan-2-carbothioate S-(2,5- dimethyl-3-furyl) thio-2-furoate S-(2,5- dimethyl-3-furyl) thio-3-furoate 2,5- dimethyl-3-thiofuroylfuran 2,5- dimethylthiofuroylfuran 3- furan carbothioic acid S-(2,5-dimethyl-3-furanyl) ester 2- furancarbothioic acid, S-(2,5-dimethyl-3-furanyl) ester 3-(2- furoylthio)-2,5-dimethylfuran   Articles:   None found yet. 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Notes: Flavouring agent with hydrolysed vegetable-type aroma and flavour