4-furfuryl thio-2-pentanone
4-[(2-furanylmethyl)thio]-2-pentanone

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  4-[2-(Furanmethyl)thio]-2-pentanone

Name: 4-(furan-2-ylmethylsulfanyl)pentan-2-one CAS Number: 180031-78-1 3D/inchi FDA UNII: W5N093JFRP Nikkaji Web: J1.544.260C XlogP3-AA: 1.60 (est) Molecular Weight: 198.28498000 Formula: C10 H14 O2 S NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Register name to be changed to 4-[(2-furanylmethyl)thio]-2-pentanone. Racemate (EFFA, 2010a). 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: 1084 4-[(2-furanylmethyl)thio]-2-pentanone DG SANTE Food Flavourings: 13.196 4-(furfurylthio) pentan-2-one FEMA Number: 3840 4-[(2-furanylmethyl)thio]-2-pentanone FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 180031-78-1 ; 4-((FURANMETHYL)THIO)-2-PENTANONE   Physical Properties: Appearance: yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.08800 to 1.09600 @ 25.00 °C. Pounds per Gallon - (est).: 9.053 to 9.120 Refractive Index: 1.51300 to 1.51800 @ 20.00 °C. Boiling Point: 288.00 to 289.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est) Flash Point: 263.00 °F. TCC ( 128.33 °C. ) logP (o/w): 1.313 (est) Soluble in:   alcohol   water, 1203 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Flavor Type: meaty meaty Taste Description: meaty Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Beijing Lys Chemicals 4-[2-(Furanmethyl)thio]-2-pentanone BOC Sciences For experimental / research use only. 4-[(2-Furanmethyl)thio]-2-pentanone 95% DeLong Chemicals America 4-[(2-Furanmethyl)thio]-2-pentanone Penta International 4-FURFURYLTHIO-2-PENTANONE Tengzhou Xiang Yuan Aroma Chemicals 4-Methyl-4-Furfurylthio-2-Pentanone WholeChem 4-[2-(Furanmethyl)thio]-2-pentanone   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 4-furfuryl thio-2-pentanone 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): 0.60 (μg/capita/day) NOEL (No Observed Effect Level): 3.80 (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: 18 Click here to view publication 18   average usual ppm average maximum ppm baked goods: 10.00000 50.00000 beverages(nonalcoholic): 0.50000 5.00000 beverages(alcoholic): 2.50000 25.00000 breakfast cereal: 5.00000 25.00000 cheese: - - chewing gum: 20.00000 50.00000 condiments / relishes: - - confectionery froastings: 5.00000 25.00000 egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 10.00000 20.00000 imitation dairy: - - instant coffee / tea: 5.00000 50.00000 jams / jellies: - - meat products: - - milk products: 5.00000 20.00000 nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: 5.00000 20.00000 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 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 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 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 :3025939 National Institute of Allergy and Infectious Diseases:Data 4-(furan-2-ylmethylsulfanyl)pentan-2-one Chemidplus:0180031781   References:   4-(furan-2-ylmethylsulfanyl)pentan-2-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 3025939 Pubchem (sid): 135214907   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): HMDB36134 FooDB: FDB014983 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 burnt rum ether FL/FR caramellic strawberry furanone FL/FR chocolate 2,6- dimethyl pyrazine FL/FR coffee coffee difuran FL/FR furfuryl mercaptan FL/FR fresh 10- undecen-1-yl acetate FL/FR fruity 3- mercaptohexyl acetate FL/FR (E)-7- methyl-3-octen-2-one FL/FR prunus amygdalus amara seed extract FL/FR (E)-2- undecenal FL/FR green (E,Z)-2,6- nonadienal FL/FR meaty meaty dithiane FL/FR 4- methyl nonanoic acid FL/FR sulfurol FL/FR sulfuryl acetate FL/FR moldy strawberry furanone methyl ether FL/FR musty hazelnut pyrazine FL/FR nutty 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR 2- ethyl-4-methyl thiazole FL/FR filbert heptenone FL/FR 2,6- lutidine FL/FR 2- methyl pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR roasted trigonella foenum-graecum seed oil CO2 extract FL/FR smoky 2,6- dimethoxyphenol FL/FR pyroligneous acids FL/FR sulfurous benzothiazole FL/FR ethyl 3-mercaptopropionate FL/FR fish thiol FL/FR furfuryl thioacetate FL/FR 2- mercaptopropionic acid FL/FR 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR methyl mercaptan FL/FR 2-( methyl thio) phenol FL/FR 1- phenethyl mercaptan FL/FR For Flavor No flavor group found for these 4- acetyl-2-methyl pyrimidine FL gamma- aminobutyric acid FL amyl mercaptan FL 2-(2- butyl)-4,5-dimethyl-3-thiazoline FL cyclopropyl (E,Z)-2,6-nonadienamide FL 2,5- diethyl thiazole FL dimethyl tetrasulfide FL 2,6- dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone FL bis(2,5- dimethyl-3-furyl) disulfide FL 2,5- dimethyl-3-thiofuroyl furan FL ethyl (E,Z)-2,6-nonadienamide FL S- ethyl 2-acetyl aminoethane thioate FL ethyl 3-mercaptopropionate FL/FR ethyl 4-(acetyl thio) butyrate FL (Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL (Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR methyl dihydrofuran thiol FL 2- methyl thiazolidine FL 2-( methyl thio) ethanol FL 2- methyl-3-(methyl thio) pyrazine FL/FR 2- methyl-3-furyl tetrasulfide FL 3-((2- methyl-3-furyl)thio)-4-heptanone FL 4-((2- methyl-3-furyl)thio)-5-nonanone FL 1,9- nonane dithiol FL peanut dithiazine FL 1- phenethyl mercaptan FL/FR 1,3- propane dithiol FL iso propyl disulfide FL thiazole FL 3- thienyl mercaptan FL N-(2-(3,4- dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide FL 3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide FL 4- mercapto-2-pentanone 1% in acetoin FL 2- methyl-1-methyl thio-2-butene FL 3- methyl-1,2,4-trithiane 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 1,3- butane dithiol FL cyclopentyl mercaptan FL dicyclohexyl disulfide FL dimethyl trisulfide FL/FR garlic oil extenders FL 3- mercapto-2-pentanone FL 3- tetrahydrothiophenone FL bacon bacon reaction crispy FL burnt bacon dithiazine FL 1,6- hexane dithiol FL rum ether FL/FR caramellic strawberry furanone FL/FR chemical 2,5- dimethyl furan FL cocoa butyraldehyde FL coffee coffee difuran FL/FR 2- ethyl-4-methyl thiazole FL/FR furfuryl mercaptan FL/FR methyl furfuryl mercaptopropionate FL methyl furfuryl thiol FL earthy difurfuryl sulfide FL (±)-2- mercapto-5-methylheptan-4-one FL 1,8- octane dithiol FL 2- thienyl disulfide FL eggy iso propyl mercaptan FL fatty pork fat extract FL 4- methyl nonanoic acid FL/FR (E)-7- methyl-3-octen-2-one FL/FR fruity 2- ethyl-2,5-dihydro-4-methyl thiazole FL greasy 10- undecen-1-yl acetate FL/FR green 4- methyl thiazole FL (E,Z)-2,6- nonadienal FL/FR meaty 4- allyl-2,6-dimethoxyphenol FL bacon flavor FL beef broth flavor FL BBQ beef flavor FL roast beef flavor FL beef flavor FL beef flavor base FL benzothiazole FL/FR chicken bone extract FL chicken extract FL chicken flavor FL grilled chicken flavor FL chicken key FL 2,6- dimethyl pyrazine FL/FR 2,6- dimethyl thiophenol FL 2,5- dimethyl-3-furan thiol FL 2',3- dimethyl-3',4-dioxa-2,8-dithiabicyclo(3.3.0)octane spirocyclopentane FL 1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% FL ethyl 2-hydroxyethyl sulfide FL furfuryl 2-methyl-3-furyl disulfide FL ham enhancers FL ham flavor FL hot dog flavor FL lamb flavor FL liver flavor FL meat broth concentrates FL meat flavors FL meaty dithiane FL/FR meaty enhancers FL 3- mercapto-2-butanone FL (R,S)-2- mercapto-3-butanol FL 3- mercapto-3-methyl 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 grilled pork flavor FL pork flavor FL roasted pork flavor FL propyl 2-mercaptopropionate FL propyl 2-methyl-3-furyl disulfide FL pyrazinyl ethane thiol FL 2- pyridinyl methane thiol FL rabbit flavor FL grilled steak flavor FL sulfurol FL/FR sulfuryl acetate FL/FR thialdine FL ortho- thiocresol FL ortho- thioguaiacol FL turkey flavor FL roast turkey flavor FL smoked turkey flavor FL veal flavor FL venison flavor FL medicinal 2,6- dimethoxyphenol FL/FR metallic 2,5- dihydroxy-1,4-dithiane FL moldy strawberry furanone methyl ether FL/FR musty hazelnut pyrazine FL/FR nutty 2- acetyl-4-methyl thiazole FL 3,5- diethyl-2-methyl pyrazine FL 2,5- diethyl-3-methyl pyrazine FL 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR filbert heptenone FL/FR 2,6- lutidine FL/FR 2- methyl pyrazine FL/FR nutty thiazole FL prunus amygdalus amara seed extract FL/FR onion furfuryl isopropyl sulfide FL phenolic 2- ethyl benzene thiol FL popcorn 2- propionyl-2-thiazoline FL roasted 3,5- diisobutyl-1,2,4-trithiolane FL furfuryl thioacetate FL/FR hexyl mercaptan FL trigonella foenum-graecum seed oil CO2 extract FL/FR savory N-(2,4- dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide FL N-( heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide FL N1-(2- methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide FL N1-(2- methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide FL 2,4,6- triethyl tetrahydro-1,3,5-dithiazine FL smoky pyroligneous acids FL/FR spicy hot spicy beef flavor FL sulfurous 2,3- butane dithiol FL butyl mercaptan FL S- ethyl thioacetate FL fish thiol FL/FR furfuryl thiopropionate FL methyl 2-methyl-3-furyl disulfide FL methyl mercaptan FL/FR 3- methyl-2-butane thiol FL 2- naphthyl mercaptan FL 3- pentane thiol FL roasted butanol FL tropical 3- mercaptohexyl acetate FL/FR vegetable tyramine FL waxy (E)-2- undecenal FL/FR yeasty faex extracts FL   Potential Uses: FL meat   Occurrence (nature, food, other):note   not found in nature   Synonyms:   furan methyl thiopentanone 4-((2- furan methyl) thio)-2-pentanone 4-( furan-2-yl methyl sulfanyl) pentane-2-one 4-( furan-2-ylmethylsulfanyl)pentan-2-one 4-( furan-2-ylmethylsulfanyl)pentane-2-one 4-( furan-2-ylmethylthio)pentan-2-one 4-((2- furanmethyl)thio)-2-pentanone 4-[(2- furanmethyl)thio]-2-pentanone 4-[2-( furanmethyl)thio]-2-pentanone   furanmethylthiopentanone 4-((2- furanylmethyl)thio)-2-pentanone 4-[(2- furanylmethyl)thio]-2-pentanone 4- furfurylthio-2-pentanone 4-( furfurylthio) pentan-2-one 4-( furfurylthio)-2-pentanone 4-[(2- furylmethyl)thio]pentan-2-one 4-(2- furylmethylthio)pentan-2-one   Articles:   None found yet. 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Notes: Odorous substance used in coffee compositions. Food flavouring agent