S-(2,5-dimethyl-3-furyl) ethane thioate
2,5-dimethyl-3-furanthiol acetate

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  55764-22-2 S-(2,5-Dimethyl-3-furyl) thioacetate

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  Qingdao Free Trade Zone United International Co Ltd

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  Qingdao Free Trade Zone United International Trade Co., Ltd.was founded in 1996, specializing in the production and import and export of food additives,flavor raw materials and pharmaceutical and chemical raw materials. The company has experienced R&D and business personnel,product quality, low price, efficient service and fast insight and grasp the latest market information.
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  3024 3-Acetylthio-2,5-Dimethyl Furan

Flavor Demo Formulas Name: S-(2,5-dimethylfuran-3-yl) ethanethioate CAS Number: 55764-22-2 3D/inchi ECHA EINECS - REACH Pre-Reg: 259-799-1 FDA UNII: 6FAQ96BE1Q Nikkaji Web: J296.491K MDL: MFCD13194848 XlogP3-AA: 2.10 (est) Molecular Weight: 170.23110000 Formula: C8 H10 O2 S 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: 1523 2,5-dimethyl-3-furanthiol acetate DG SANTE Food Flavourings: 13.116 2,5-dimethyl-3-thioacetoxyfuran FEMA Number: 4034 2,5-dimethyl-3-furanthiol acetate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 55764-22-2 ; 2,5-DIMETHYL-3-FURANTHIOL ACETATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.13700 to 1.14300 @ 25.00 °C. Pounds per Gallon - (est).: 9.461 to 9.511 Refractive Index: 1.52700 to 1.53300 @ 20.00 °C. Boiling Point: 230.00 °C. @ 760.00 mm Hg Acid Value: 5.00 max. KOH/g Vapor Pressure: 0.072000 mmHg @ 25.00 °C. (est) Flash Point: 197.00 °F. TCC ( 91.67 °C. ) logP (o/w): 1.715 (est) Soluble in:   alcohol   water, very slightly   water, 329.4 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: floral fruity floral tropical Odor Description:at 0.10 % in dipropylene glycol. fruity floral tropical Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. S-(2,5-Dimethyl-3-furyl) thioacetate Parchem S-(2,5-dimethyl-3-furyl) ethane thioate United International 3-Acetylthio-2,5-Dimethyl Furan 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 S-(2,5-dimethyl-3-furyl) ethane thioate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3.30 (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: 21 Click here to view publication 21   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: 0.01000 0.03000 confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: 0.02000 0.04000 hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: 0.02000 0.05000 milk products: - - nut products: - - other grains: - - poultry: 0.02000 0.05000 processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: 0.01000 0.02000 soft candy: - - soups: 0.00500 0.01000 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): - - Meat and meat products, including poultry and game (08.0): 0.02000 - 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): 0.02000 - Foodstuffs intended for particular nutritional uses (13.0): - - Non-alcoholic ("soft") beverages, excl. dairy products (14.1): - - Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): - - Ready-to-eat savouries (15.0): 0.10000 - 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 Substance Registry Services (TSCA):55764-22-2 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :108764 National Institute of Allergy and Infectious Diseases:Data S-(2,5-dimethylfuran-3-yl) ethanethioate Chemidplus:0055764222   References:   S-(2,5-dimethylfuran-3-yl) ethanethioate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 55764-22-2 Pubchem (cid): 108764 Pubchem (sid): 135065285   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): HMDB32234 FooDB: FDB009314 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 No odor group found for these (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR balsamic balsamic benzyl cinnamate FL/FR cinnamyl formate FL/FR iso propyl cinnamate FL/FR caramellic strawberry furanone acetate FL/FR citrus 2- heptanol FL/FR ethereal iso propyl formate FL/FR iso valeraldehyde propylene glycol acetal FL/FR fatty butyl undecylenate FL/FR 4- ethyl octanoic acid FL/FR fermented methyl decanoate FL/FR floral iso amyl angelate FL/FR alpha- amyl cinnamaldehyde FL/FR para- anisyl butyrate FL/FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR (S)- citronellyl acetate FL/FR citronellyl butyrate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR (E)- citronellyl tiglate FL/FR black currant bud concrete FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR ethyl anthranilate FL/FR ethyl ethyl anthranilate FL/FR geraniol FL/FR geranyl isobutyrate FL/FR alpha- ionone FL/FR ionone mixed isomers FL/FR iso jasmone FL/FR linalyl butyrate FL/FR magnolia flower oil CO2 extract FL/FR methoxymelonal FL/FR para- methyl benzyl acetate FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl ionyl acetate FL/FR 3- nonanon-1-yl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR osmanthus concrete FL/FR petitgrain lemon oil FL/FR petitgrain mandarin oil FL/FR phenethyl acetate FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 4- phenyl-3-buten-2-ol FL/FR iso propyl benzoate FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR rose butanoate FL/FR star fruit oil cuba FL/FR styralyl isobutyrate FL/FR styralyl propionate FL/FR terpinyl valerate FL/FR fruity allyl cyclohexyl propionate FL/FR apricot essence FL/FR benzyl propionate FL/FR benzyl valerate FL/FR butyl 2-naphthyl ether FL/FR iso butyl anthranilate FL/FR iso butyl furyl propionate FL/FR butyl isobutyrate FL/FR iso butyl isobutyrate FL/FR citronellyl isobutyrate FL/FR beta- damascone FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR (R)-gamma- dodecalactone FL/FR ethyl levulinate FL/FR heptyl butyrate FL/FR heptyl isobutyrate FL/FR linalool oxide acetates FL/FR 3- mercaptohexyl acetate FL/FR methyl (Z)-3-hexenoate FL/FR methyl isobutyrate FL/FR (E)-7- methyl-3-octen-2-one FL/FR (±)-3- methyl-gamma-decalactone FL/FR neocaspirene FL/FR 2- nonanone propylene glycol acetal FL/FR alpha- ocimene FL/FR sambucus canadensis fruit absolute FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR (R)- styralyl acetate FL/FR 4-(para- tolyl)-2-butanone FL/FR tropical ionone FL/FR green iso amyl 3-(2-furan) propionate FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR heptanal dimethyl acetal FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR hexyl hexanoate FL/FR 1- penten-3-ol FL/FR phenoxyethyl isobutyrate FL/FR herbal barosma betulina leaf oil FL/FR (E)-6- methyl-3-hepten-2-one FL/FR tagete oil madagascar FL/FR viridiflorol FL/FR medicinal ortho- cresyl acetate FL/FR powdery alpha- methyl ionone FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR spicy para- anisyl formate FL/FR spicy acetoacetate FL/FR sulfurous buchu mercaptan FL/FR lychee mercaptan acetate FL/FR passiflora acetate FL/FR S- tropical 2-thiobutyrate FL/FR 4- tropical oxathiane FL/FR tropical cis- galbanum oxathiane FL/FR hexyl 2-methyl-3-pentenoate FL/FR 3- nonen-4-olide FL/FR passiflora edulis fruit extract FL/FR passiflora edulis fruit water FL/FR tropical 3-thiobutyrate FL/FR waxy dihydrocitronellyl acetate FL/FR (E)- methyl geranate FL/FR phytyl acetate FL/FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these 1- acetyl cyclohexyl acetate FL amyl angelate FL iso amyl angelate FL/FR benzyl valerate FL/FR butyl 2-naphthyl ether FL/FR 2- butyl thiophene FL ortho- cresyl acetate FL/FR 2,4- difurfuryl furan FL dihydrocitronellyl acetate FL/FR (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR (R)-gamma- dodecalactone FL/FR ethyl 2-(methyl thio) acetate FL ethyl 3-hydroxyoctanoate FL ethyl ethyl anthranilate FL/FR 4- hydroxyphenethyl alcohol FL ionone mixed isomers FL/FR linalool oxide acetates FL/FR magnolia flower oil CO2 extract FL/FR methyl 2-(methyl thio) acetate FL methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR (E)- methyl geranate FL/FR (E)-6- methyl-3-hepten-2-one FL/FR neocaspirene FL/FR 2- nonanone propylene glycol acetal FL/FR 3- nonen-4-olide FL/FR alpha- ocimene FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR S- prenyl thioisobutyrate FL S- prenyl thioisovalerate FL iso propyl benzoate FL/FR sorbyl propionate FL (R)- styralyl acetate FL/FR styralyl isobutyrate FL/FR S- tropical 2-thiobutyrate FL/FR viridiflorol FL/FR vitispirane FL allyl thiohexanoate FL iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR anisic anisic para- anisyl butyrate FL/FR balsamic iso propyl cinnamate FL/FR berry heptyl isobutyrate FL/FR burnt ethyl 2-furoate FL caramellic strawberry furanone acetate FL/FR cheesy methyl ketones FL citrus petitgrain lemon oil FL/FR petitgrain mandarin oil FL/FR styralyl propionate FL/FR creamy triacetin FL ethereal methyl isobutyrate FL/FR fatty 4- ethyl octanoic acid FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR floral (S)- citronellyl acetate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR geranyl isobutyrate FL/FR alpha- ionone FL/FR linalyl butyrate FL/FR 2- methyl butyl 3-methyl butenoate FL (E)-alpha- methyl ionone (74-80%) FL/FR alpha-iso methyl ionone (90% min.) FL/FR orris rhizome concrete butter (iris pallida) FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR tropical ionone FL/FR fruity allyl cyclohexyl propionate FL/FR apricot essence FL/FR benzyl acetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR benzyl propionate FL/FR iso butyl anthranilate FL/FR iso butyl isobutyrate FL/FR butyl isobutyrate FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR black currant bud concrete FL/FR (Z)-beta- damascone FL/FR (E)-beta- damascone FL/FR ethyl anthranilate FL/FR ethyl levulinate FL/FR 2- heptanol FL/FR hexyl 2-methyl-3-pentenoate FL/FR hexyl hexanoate FL/FR 2- hexyl-4-acetoxytetrahydrofuran FL 3- mercaptohexyl hexanoate FL methoxymelonal FL/FR methyl (Z)-3-hexenoate FL/FR methyl 4-phenyl butyrate FL para- methyl benzyl acetate FL/FR alpha- methyl ionone FL/FR 3- nonanon-1-yl acetate FL/FR osmanthus concrete FL/FR passion fruit distillates FL phenethyl isovalerate FL/FR 2- phenyl-4-pentenal FL iso propyl formate FL/FR rose butanoate FL/FR sambucus canadensis fruit absolute FL/FR star fruit oil cuba FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR tagete oil madagascar FL/FR terpinyl valerate FL/FR 4-(para- tolyl)-2-butanone FL/FR 4- tropical oxathiane FL/FR iso valeraldehyde propylene glycol acetal FL/FR green (E)- citronellyl tiglate FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR cis- galbanum oxathiane FL/FR heptanal dimethyl acetal FL/FR heptyl butyrate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR iso jasmone FL/FR 1- penten-3-ol FL/FR phenoxyethyl isobutyrate FL/FR herbal barosma betulina leaf oil FL/FR buchu oil fractions FL honey phenethyl acetate FL/FR phenethyl isobutyrate FL/FR juicy lychee mercaptan acetate FL/FR nutty phytyl acetate FL/FR spicy para- anisyl formate FL/FR benzyl cinnamate FL/FR cinnamyl formate FL/FR spicy acetoacetate FL/FR sulfurous buchu mercaptan FL/FR methyl 2-(methyl thio) butyrate FL methyl thiomethyl butyrate FL tropical 3-thiobutyrate FL/FR tropical alpha- amyl cinnamaldehyde FL/FR anacardium occidentale fruit puree FL 3- mercaptohexyl acetate FL/FR 3- mercaptohexyl butyrate FL passiflora acetate FL/FR passiflora edulis fruit extract FL/FR passiflora edulis fruit water FL/FR vegetable 2- octen-4-one FL/FR waxy butyl undecylenate FL/FR (±)-3- methyl-gamma-decalactone FL/FR 4- phenyl-3-buten-2-ol FL/FR woody methyl ionyl acetate FL/FR   Potential Uses: FR floral FR fruit   Occurrence (nature, food, other):note   not found in nature   Synonyms: 3- acetyl thio-2,5-dimethyl furan 3-( acetyl thio)-2,5-dimethyl furan 3-( acetylthio)-2,5-dimethylfuran S-(2,5- dimethyl fur-3-yl) thioacetate 2,5- dimethyl-3-furan thiol acetate 2,5- dimethyl-3-furanthiol acetate S-(2,5- dimethyl-3-furanyl) ethanethioate S-(2,5- dimethyl-3-furyl) ethanethioate S-(2,5- dimethyl-3-furyl) thioacetate 2,5- dimethyl-3-thioacetoxyfuran S-(2,5- dimethylfuran-3-yl) ethanethioate   ethane thioic acid S-(2,5-dimethyl-3-furanyl) ester   ethanethioic acid, S-(2,5-dimethyl-3-furanyl) ester 3- thioacetyl-2,5-dimethyl furan   Articles: Info:substances containing furan substitution

Notes: Used as a food additive [EAFUS]