1-(methyl thio)-1-butene
1-butenyl methyl sulfide

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  CODE158404 CODE158404
  Product(s):
  32951-19-2 1-(Butenyl-1)methylsulphide

CAS Number: 32951-19-2 3D/inchi FDA UNII: PI166QHN3H XlogP3-AA: 2.00 (est) Molecular Weight: 102.19970000 Formula: C5 H10 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: 457 (1-buten-1-yl) methyl sulfide DG SANTE Food Flavourings: 12.211 but-1-enyl methyl sulphide FEMA Number: 3820 1-butenyl methyl sulfide FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 32951-19-2 ; 1-BUTEN-1-YL METHYL SULFIDE   Physical Properties: Appearance: pale yellow clear liquid (est) Assay: 98.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.94300 to 0.94800 @ 25.00 °C. Pounds per Gallon - (est).: 7.847 to 7.888 Refractive Index: 1.39300 to 1.41300 @ 20.00 °C. Boiling Point: 123.00 to 125.00 °C. @ 760.00 mm Hg Vapor Pressure: 13.088000 mmHg @ 25.00 °C. (est) Flash Point: 75.00 °F. TCC ( 23.90 °C. ) (est) logP (o/w): 2.916 (est) Soluble in:   alcohol   water, 874.8 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Description:sulfurous Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. 1-Butene,1-(methylthio)- BOC Sciences For experimental / research use only. 1-(Butenyl-1)methylsulphide Parchem 1-buten-1-yl methyl sulfide   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-(methyl thio)-1-butene usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day) Structure Class: I 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: 0.06000 1.00000 beverages(nonalcoholic): 0.20000 2.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: 0.01000 0.04000 fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: 0.10000 1.00000 granulated sugar: - - gravies: 0.10000 1.00000 hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: 0.40000 4.00000 milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 5.00000 5.00000 snack foods: - - soft candy: - - 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 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 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 :5368103 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 1-methylsulfanylbut-1-ene Chemidplus:0032951192   References:   1-methylsulfanylbut-1-ene NIST Chemistry WebBook: Search Inchi Pubchem (cid): 5368103 Pubchem (sid): 135279192   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): HMDB38892 FooDB: FDB018354 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View FAO: (1-Buten-1-yl) methyl sulfide   Potential Blenders and core components note For Odor No odor group found for these sulfuryl octanoate FL/FR sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR sulfuryl propionate FL/FR valeraldehyde dibutyl acetal FL/FR valeraldehyde propylene glycol acetal FL/FR animal animal 4- ethoxyphenol CS balsamic propyl benzoate FL/FR bready coffee furanone FL/FR buttery acetyl propionyl FL/FR 3,4- hexane dione FL/FR camphoreous bornyl isobutyrate FL/FR caramellic ethyl 2-hydroxy-2-methyl butyrate FL/FR chocolate chocolate pyrazine A FL/FR cocoa hexenal FL/FR 2,5- dimethyl pyrazine FL/FR 2- methoxy-3-methyl pyrazine FL/FR 2- methoxypyrazine FL/FR cocoa 2- methyl butyraldehyde FL/FR coconut alpha- angelica lactone FL/FR gamma- heptalactone FL/FR corn chip popcorn pyrimidine FL/FR coumarinic coumane FL/FR tonka bean resinoid FR earthy 2- ethyl-3-methoxypyrazine FL/FR nutty pyrazine FL/FR fatty coconut absolute FL/FR fermented valeraldehyde FL/FR floral boronia butenal FR para- cresyl laurate FL/FR ortho- methyl acetophenone FL/FR fruity allyl 2-ethyl butyrate FL/FR iso amyl nonanoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR tropical thiazole FL/FR green 2- heptyl furan FL/FR (E,Z)-2,6- nonadien-1-yl acetate FL/FR herbal saffron pyranone FR musty 2- acetyl pyrrole FL/FR 3- acetyl-2,5-dimethyl furan FL/FR hazelnut pyrazine FL/FR menthofuran FL/FR naphthyl ortho- methyl anisole FL/FR para- methyl anisole FL/FR nutty 3- acetyl pyridine FL/FR 2- acetyl-3-ethyl pyrazine FL/FR 2- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-5-methyl furan FL/FR 3,6- cocoa pyrazine 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 2- ethyl-4-methyl thiazole FL/FR filbert heptenone FL/FR filbert pyrazine FL/FR 2,6- lutidine FL/FR maraniol CS 2- methyl pyrazine 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 2- methyl-3-ethoxypyrazine FL/FR 2- methyl-3-propyl pyrazine FL/FR nutty cyclohexenone FL/FR nutty quinoxaline FL/FR shoyu pyrazine FL/FR 2,3,5,6- tetramethyl pyrazine FL/FR 2,4,5- trimethyl oxazole FL/FR 2,3,5- trimethyl pyrazine FL/FR vinyl sulfurol FL/FR popcorn 2- acetyl pyrazine FL/FR 2- acetyl thiazole FL/FR spicy 3-(2- furyl) acrolein FL/FR sulfurous benzothiazole FL/FR furfuryl thioacetate FL/FR tobacco veltonal (Bedoukian) FR tonka coumarin FR tonka bean absolute FR whiskey lactone FL/FR waxy butyl laurate FL/FR woody cedrenyl acetate FR 2- methoxy-4-vinyl phenol FL/FR For Flavor No flavor group found for these bornyl isobutyrate FL/FR 2(4)-iso butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine FL butyramide FL chocolate pyrazine A FL/FR chocolate pyrazine B FL coumane FL/FR cyclohexyl methyl pyrazine FL 2,5- diethyl thiazole FL 2,5- diethyl-4-methyl thiazole FL 6,7- dihydro-2,3-dimethyl-5H-cyclopentapyrazine FL dimethyl dihydrocyclopentapyrazine FL 2,5- dimethyl thiazole FL ethyl 2-hydroxy-2-methyl butyrate FL/FR 2- ethyl-3-methoxypyrazine FL/FR (Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL (Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL 3-(2- furyl) acrolein FL/FR (E,E)-2,4- heptadien-1-ol FL 2- hexyl-5 or 6-keto-1,4-dioxane FL 2- methoxypyrazine FL/FR methyl 2-(methyl thio) acetate FL 2- methyl-3-(methyl thio) pyrazine FL/FR 2- methyl-3-ethoxypyrazine FL/FR peanut dithiazine FL 2- propyl pyridine FL para- salicylic acid FL sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR valeraldehyde propylene glycol acetal FL/FR 5- acetyl-2,3-dihydro-1,4-thiazine FL sulfuryl formate FL sulfuryl octanoate FL/FR sulfuryl propionate FL/FR valeraldehyde dibutyl acetal FL/FR alliaceous alliaceous 2- methyl thioacetaldehyde FL tropical thiazole FL/FR anisic ortho- methyl acetophenone FL/FR bready 2- propionyl thiazole FL burnt 2- methyl quinoxaline FL 2,4,5- trimethyl oxazole FL/FR buttery butyroin FL 3,4- hexane dione FL/FR camphoreous ortho- methyl anisole FL/FR cocoa cocoa hexenal FL/FR coffee difurfuryl ether FL 2- ethyl-4-methyl thiazole FL/FR 2-iso propyl pyrazine FL corn chip 2- acetyl thiazole FL/FR 2- acetyl-2-thiazoline FL popcorn pyrimidine FL/FR creamy alpha- angelica lactone FL/FR earthy 2- methyl-3-propyl pyrazine FL/FR ethereal allyl 2-ethyl butyrate FL/FR fatty coconut absolute FL/FR (E,E)-2,4- decadienal FL 2- heptyl furan FL/FR (E,E)-2,4- nonadienal FL fishy 4,5- dimethyl thiazole FL fruity 2,4- hexadien-1-ol FL methyl valerate FL/FR 3- methyl-2-butenal FL/FR propyl benzoate FL/FR fusel 2- methyl butyraldehyde FL/FR green dihydroxyacetophenone (mixed isomers) FL 2,5- dimethyl thiophene FL 4- methyl thiazole FL 2- methyl-5-isopropyl pyrazine FL (E,Z)-2,6- nonadien-1-yl acetate FL/FR 2- vinyl pyrazine FL lactonic gamma- heptalactone FL/FR meaty benzothiazole FL/FR musty 2,5- dimethyl pyrazine FL/FR 2- ethoxythiazole FL hazelnut pyrazine FL/FR menthofuran FL/FR propionaldehyde FL shoyu pyrazine FL/FR 2,3,5- trimethyl pyrazine FL/FR naphthyl para- methyl anisole FL/FR nutty 3- acetyl pyridine FL/FR 2- acetyl pyrrole FL/FR 3- acetyl-2,5-dimethyl furan FL/FR 2- acetyl-3-ethyl pyrazine FL/FR 2- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-5-methyl furan FL/FR 3,6- cocoa pyrazine FL/FR 3,5- cocoa pyrazine FL/FR coffee furanone FL/FR 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 2,4- dimethyl-5-vinyl thiazole FL 2- ethyl pyrazine FL/FR 1- ethyl-2-acetyl pyrrole FL filbert heptenone FL/FR filbert pyrazine FL/FR european hazelnut oleoresin FL 2,6- lutidine FL/FR 2- methoxy-3-methyl pyrazine FL/FR 2- methyl pyrazine FL/FR 5- methyl quinoxaline FL/FR 2- methyl thio-3,5 or 6-methyl pyrazine FL/FR nutty cyclohexenone FL/FR nutty pyrazine FL/FR nutty quinoxaline FL/FR nutty thiazole FL peanut oxazole FL 2,3,5,6- tetramethyl pyrazine FL/FR vinyl sulfurol FL/FR popcorn 2- propionyl-2-thiazoline FL roasted 2- acetyl pyrazine FL/FR furfuryl thioacetate FL/FR smoky 2- methoxy-4-vinyl phenol FL/FR toasted acetyl propionyl FL/FR waxy butyl laurate FL/FR para- cresyl laurate FL/FR winey iso amyl nonanoate FL/FR 5- ethyl-2-methyl pyridine FL valeraldehyde FL/FR woody whiskey lactone FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   peanut roasted peanut Search Trop Picture   Synonyms:   but-1-en-1-yl methyl sulfide   but-1-enyl methyl sulphide 1- buten-1-yl methyl sulfide (1- buten-1-yl) methyl sulfide 1- butene, 1-(methylthio)- 1- butenyl methyl sulfide (1- butenyl-1)methylsulphide 1-( methylsulfanyl)but-1-ene 1- methylsulfanylbut-1-ene 1-( methylthio)-1-butene   Articles:   None found yet. Try the PubMed Search.

Notes: Food flavouring ingredient. Present in roasted peanuts