1-(3-hydroxy-5-methyl-2-thienyl) ethanone
1-(3-hydroxy-5-methyl-2-thienyl)ethanone

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Name: 1-(3-hydroxy-5-methylthiophen-2-yl)ethanone CAS Number: 133860-42-1 3D/inchi FDA UNII: U0W0KQ1EET Molecular Weight: 156.20416000 Formula: C7 H8 O2 S NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: (Flavour Industry, 2004). Substance no longer supported by Industry (EFSA, 2011). 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: 1750 1-(3-hydroxy-5-methyl-2-thienyl)ethanone FEMA Number: 4142 1-(3-hydroxy-5-methyl-2-thienyl)ethanone FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 133860-42-1 ; 1-(3-HYDROXY-5-METHYL-2-THIENYL)ETHANONE   Physical Properties: Appearance: white to pale yellow solid (est) Assay: 98.30 to 100.00 Food Chemicals Codex Listed: No Melting Point: 73.00 to 76.00 °C. @ 760.00 mm Hg Boiling Point: 268.00 to 269.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.004000 mmHg @ 25.00 °C. (est) Flash Point: 245.00 °F. TCC ( 118.50 °C. ) (est) logP (o/w): 1.473 (est) Soluble in:   alcohol   water, slightly   water, 3308 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: meaty meaty brown cooked roasted Odor Description:at 0.10 % in propylene glycol. meaty brown cooked roasted Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. Ethanone, 1-(3-hydroxy-5-methyl-2-thienyl)- (9CI) Parchem 1-(3-hydroxy-5-methyl-2-thienyl) ethanone 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 1-(3-hydroxy-5-methyl-2-thienyl) ethanone 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): ND (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/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: 22 Click here to view publication 22   average usual ppm average maximum ppm baked goods: 0.20000 0.50000 beverages(nonalcoholic): 0.10000 0.30000 beverages(alcoholic): 0.10000 0.50000 breakfast cereal: 0.20000 0.50000 cheese: - - chewing gum: 2.00000 5.00000 condiments / relishes: - - confectionery froastings: 0.20000 0.40000 egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: 0.10000 0.30000 gelatins / puddings: 0.10000 0.30000 granulated sugar: - - gravies: - - hard candy: 0.30000 0.50000 imitation dairy: - - instant coffee / tea: - - jams / jellies: 0.20000 0.30000 meat products: - - milk products: 0.20000 0.30000 nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 3.00000 5.00000 snack foods: - - soft candy: 2.00000 5.00000 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): Flavouring Group Evaluation 93 (FGE.93): Consideration of sulphur heterocyclic evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl evaluated by EFSA in FGE.21Rev1 (2009) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 93, Revision 1 (FGE.93Rev1): Consideration of sulphur containing heterocyclic compounds evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives evaluated by EFSA in FGE.21Rev3 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 :14837639 National Institute of Allergy and Infectious Diseases:Data 1-(3-hydroxy-5-methylthiophen-2-yl)ethanone Chemidplus:0133860421   References:   1-(3-hydroxy-5-methylthiophen-2-yl)ethanone NIST Chemistry WebBook: Search Inchi Pubchem (cid): 14837639 Pubchem (sid): 135267266   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): HMDB32334 FooDB: FDB009607 ChemSpider: View   Potential Blenders and core components note For Odor alliaceous dimethyl trisulfide FL/FR methyl furfuryl disulfide FL/FR burnt rum ether FL/FR chocolate 2,6- dimethyl pyrazine FL/FR coffee coffee difuran 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 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 pyrazine FL/FR 2- ethyl-4-methyl thiazole FL/FR 2- methyl pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR phenolic 2,3- dimethyl benzofuran FL/FR ortho- guaiacol FL/FR 4- vinyl phenol 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 2- mercaptopropionic acid FL/FR 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR 2-( methyl thio) phenol FL/FR 1- phenethyl mercaptan FL/FR tobacco methyl benzoxole FL/FR For Flavor No flavor group found for these 4- acetyl-2-methyl pyrimidine FL gamma- aminobutyric acid FL amyl mercaptan FL 1,2- butane dithiol FL 2-(2- butyl)-4,5-dimethyl-3-thiazoline FL cyclopropyl (E,Z)-2,6-nonadienamide FL 2,5- diethyl thiazole FL 3,6- diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri 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 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 3-( ethyl thio) butanol FL 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- hexyl thiophene FL 3- mercapto-3-methyl butyl formate FL 4- mercapto-3-methyl-2-butanol FL 4- methoxybenzoyl oxyacetic acid 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-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 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 3-iso propenyl pentane dioic acid FL iso propyl disulfide FL 2-iso propyl-3-(methyl thio) pyrazine FL sodium methoxybenzoyl oxyacetate FL thiazole FL 3- thienyl mercaptan FL thioacetic acid FL 5- acetyl-2,3-dihydro-1,4-thiazine FL S- allyl-laevo-cysteine FL 3,5- diisopropyl-1,2,4-trithiolane FL N-(2-(3,4- dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide 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 (±)-3-( methyl thio) heptanal FL 3-( methyl thio) methyl thiophene 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 1,3- butane dithiol FL cyclopentyl mercaptan FL dimethyl trisulfide FL/FR 3- mercapto-2-pentanone FL 3- tetrahydrothiophenone FL tropical thiazole FL/FR burnt bacon dithiazine FL 1,6- hexane dithiol FL rum ether FL/FR chemical 2,3- dimethyl benzofuran FL/FR 2,5- dimethyl furan FL cocoa butyraldehyde FL coffee coffee difuran FL/FR 2- ethyl-4-methyl thiazole FL/FR methyl furfuryl disulfide FL/FR 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 tropical trithiane FL/FR green 4- methyl thiazole FL (E,Z)-2,6- nonadienal FL/FR 4- penten-1-yl acetate FL 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 4- furfuryl thio-2-pentanone 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 propyl 2-methyl-3-furyl disulfide 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 moldy strawberry furanone methyl ether FL/FR musty hazelnut pyrazine FL/FR nutty 3- acetyl-2,5-dimethyl thiophene FL 2- acetyl-4-methyl thiazole FL 2- butyl-2-butenal FL 3,5- diethyl-2-methyl pyrazine FL 2,5- diethyl-3-methyl pyrazine FL 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR 2- ethyl pyrazine FL/FR methyl benzoxole FL/FR 2- methyl pyrazine FL/FR nutty pyrazine FL/FR nutty thiazole FL 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 hexyl mercaptan FL lactoyl ethanolamine FL lactoyl ethanolamine phosphate FL rummy ethyl crotonate 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 smoky prosopis juliflora wood extract FL pyroligneous acids FL/FR sulfurous 2,3- butane dithiol FL ethyl methyl sulfide FL S- ethyl thioacetate FL fish thiol FL/FR methyl 2-methyl-3-furyl disulfide FL 3- methyl-2-butane thiol FL 2- naphthyl mercaptan FL roasted butanol FL 2,4,6- trithiaheptane 10% in triacetin FL vegetable tyramine FL wasabi 2-( methyl thio) ethyl acetate FL woody ortho- guaiacol FL/FR yeasty faex extracts FL   Potential Uses: FL bacon FL beef FL beef roasted beef FL chicken FR hawthorn FL lamb FL liver FL meat FL meat grilled meat FL meat roasted meat FL meat smoked meat FL pork FL salami FL turkey   Occurrence (nature, food, other):note   not found in nature   Synonyms:   ethanone, 1-(3-hydroxy-5-methyl-2-thienyl)- 1-(3- hydroxy-5-methyl-2-thienyl)-ethanone 1-(3- hydroxy-5-methyl-2-thienyl)ethanone 1-(3- hydroxy-5-methylthiophen-2-yl)ethanone   Articles:   None found yet. 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Notes: Used as a food additive [EAFUS]