dextro,laevo-3-(methyl thio) butanone
3-(methylthio)-2-butanone

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  53475-15-3 3-Methylthio-2-butanone

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  13-69770 3-(METHYLTHIO)-2-BUTANONE

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  M1113 3-Methylthio-2-butanone >98.0%(GC)
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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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  3-Methylthio-2-butanone

Name: 3-methylsulfanylbutan-2-one CAS Number: 53475-15-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 258-576-6 FDA UNII: 9B48E0787W Nikkaji Web: J295.966F Beilstein Number: 1741693 MDL: MFCD00008761 XlogP3-AA: 1.00 (est) Molecular Weight: 118.19890000 Formula: C5 H10 O S NMR Predictor: Predict (works with chrome, Edge or firefox) Name: (3R)-3-methylsulfanylbutan-2-one CAS Number: 53475-15-3 (R) 3D/inchi FDA UNII: Search Beilstein Number: 1741693 XlogP3-AA: 1.00 (est) Molecular Weight: 118.19890000 Formula: C5 H10 O S NMR Predictor: Predict (works with chrome, Edge or firefox) Name: (3S)-3-methylsulfanylbutan-2-one CAS Number: 53475-15-3 (S) 3D/inchi FDA UNII: Search XlogP3-AA: 1.00 (est) Molecular Weight: 118.19890000 Formula: C5 H10 O S NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Specifications (Flavour Industry, 2005h). 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: 1688 3-(methylthio)-2-butanone DG SANTE Food Flavourings: 12.285 3-(methylthio)-2-butanone FEMA Number: 4181 3-(methylthio)-2-butanone FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 53475-15-3 ; 3-(METHYLTHIO)-2-BUTANONE   Physical Properties: Appearance: yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.99200 to 0.99800 @ 25.00 °C. Pounds per Gallon - (est).: 8.254 to 8.304 Refractive Index: 1.46800 to 1.47700 @ 20.00 °C. Boiling Point: 160.00 °C. @ 760.00 mm Hg Boiling Point: 50.00 to 54.00 °C. @ 20.00 mm Hg Vapor Pressure: 4.358000 mmHg @ 25.00 °C. (est) Flash Point: 118.00 °F. TCC ( 47.78 °C. ) logP (o/w): 0.803 (est) Soluble in:   propylene glycol   alcohol   water, slightly   water, 6.001e+004 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: sulfurous Odor Strength:high , recommend smelling in a 0.10 % solution or less Substantivity:1 hour(s) at 1.00 % in propylene glycol sulfurous milky oily potato earthy fatty Odor Description:at 1.00 % in propylene glycol. sulfurous milky oily potato earthy fatty Luebke, William tgsc, (2007) Odor sample from: Sigma-Aldrich Flavor Type: milky milky creamy potato potato baked potato oily baked shellfish brown Taste Description: milky creamy potato baked potato oily baked shellfish brown Luebke, William tgsc, (2007) Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3-Methylthio-2-butanone DeLong Chemicals America 3-(Methylthio)-2-butanone Penta International 3-(METHYLTHIO)-2-BUTANONE Santa Cruz Biotechnology For experimental / research use only. 3-(Methylthio-2-butanone TCI AMERICA For experimental / research use only. 3-Methylthio-2-butanone >98.0%(GC) sds United International 2-Methylthio-3-Butanone WholeChem 3-Methylthio-2-butanone   Safety Information: Preferred SDS: View European information : Most important hazard(s): Xi - Irritant R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.   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 dextro,laevo-3-(methyl thio) butanone 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): 320 (μg/person/day) NOEL (No Observed Effect Level): 0.7 (mg/kg bw per day) Threshold of Concern: 1800 (μg/person/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: 22 Click here to view publication 22   average usual ppm average maximum ppm baked goods: 0.60000 1.00000 beverages(nonalcoholic): 0.50000 0.60000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 0.50000 0.70000 fruit ices: - - gelatins / puddings: 0.50000 1.00000 granulated sugar: - - gravies: - - hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: 0.20000 0.50000 milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - 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): 1.00000 5.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): - - Edible ices, including sherbet and sorbet (03.0): 0.50000 0.70000 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): 0.80000 1.00000 Meat and meat products, including poultry and game (08.0): 0.20000 0.50000 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): 1.00000 5.00000 Foodstuffs intended for particular nutritional uses (13.0): - - Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.50000 6.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): - - Ready-to-eat savouries (15.0): - - 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 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5 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 :103788 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1224 WGK Germany:3 3-methylsulfanylbutan-2-one Chemidplus:0053475153 (3R)-3-methylsulfanylbutan-2-one (3S)-3-methylsulfanylbutan-2-one   References:   3-methylsulfanylbutan-2-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 103788 Pubchem (sid): 135060407   (3R)-3-methylsulfanylbutan-2-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 7058142 Pubchem (sid): 43647362   (3S)-3-methylsulfanylbutan-2-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 7020891 Pubchem (sid): 43617229   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): HMDB41558 FooDB: FDB021546 Export Tariff Code: 2930.90.9190 ChemSpider: View   Potential Blenders and core components note For Odor buttery butyl butyryl lactate FL/FR chocolate cocoa hexenal FL/FR coconut delta- nonalactone FL/FR creamy gamma- butyrolactone FL/FR delta- tridecalactone FL/FR para- vanillic acid FL/FR para- vanillyl alcohol FL/FR earthy 2- ethyl-3-methoxypyrazine FL/FR nutty pyrazine FL/FR fatty (E)-2- decenal FL/FR fermented butyl laevo-lactate FL/FR green butyl lactate FL/FR (Z)-4- heptenal FL/FR (E)-3- hexen-1-ol FL/FR nutty 2- acetyl-3-ethyl pyrazine FL/FR 3,6- cocoa pyrazine FL/FR spicy 2- octanol FL/FR tropical tropical 3-thiobutyrate FL/FR vegetable methional FL/FR waxy ethyl palmitate FL/FR delta- tetradecalactone FL/FR 2- tridecanone FL/FR For Flavor No flavor group found for these 2- butyl thiophene FL 6- decenoic acid FL 2- ethyl-3-methoxypyrazine FL/FR green pea pyrazine FL 2- methoxy-3-propyl pyrazine FL methyl 2-(methyl thio) acetate FL 4-( methyl thio) butanol FL alliaceous alliaceous 3- mercapto-2-pentanone FL 2- methyl thioacetaldehyde FL astringent 2,3- dimethyl quinoxaline FL buttery butyl laevo-lactate FL/FR diacetyl FL cabbage methyl 2-thiofuroate FL cocoa cocoa hexenal FL/FR coconut (R)- massoia lactone FL creamy butyl butyryl lactate FL/FR divanillin FL delta- nonalactone FL/FR delta- tridecalactone FL/FR para- vanillic acid FL/FR para- vanillyl alcohol FL/FR dairy sour cream flavor FL dairy flavor FL fatty 2- tridecanone FL/FR green butyl lactate FL/FR (Z)-4- heptenal FL/FR (E)-3- hexen-1-ol FL/FR propylene glycol acetone ketal FL milky gamma- butyrolactone FL/FR 6-(5(6)- decenoyl oxy) decanoic acid FL nutty 2- acetyl-3-ethyl pyrazine FL/FR 3,6- cocoa pyrazine FL/FR 2- ethyl-6-methyl pyrazine FL nutty pyrazine FL/FR spicy egg nog flavor FL 2- octanol FL/FR sulfurous potato butanone FL tropical 3-thiobutyrate FL/FR tomato methional FL/FR vegetable potato butyraldehyde FL waxy (E)-2- decenal FL/FR ethyl palmitate FL/FR delta- tetradecalactone FL/FR winey 5- ethyl-2-methyl pyridine FL   Potential Uses:   parsnip FL potato FL potato baked potato FL potato baked potato FL potato chip FL potato fried potato   Occurrence (nature, food, other):note   not found in nature   Synonyms: 2- butanone, 3-(methylthio)- 3- methyl mercapto-2-butanone 3-( methyl sulfanyl)-2-butanone 3- methyl thio-2-butanone DL-3-( methyl thio) butanone 3-( methyl thio)-2-butanone 3- methylmercapto-2-butanone 3-( methylsulfanyl)butan-2-one 3- methylsulfanylbutan-2-one 3- methylthio-2-butanone 3-( methylthio)-2-butanone DL-3-( methylthio)-2-butanone 3-( methylthio)butanone dextro,laevo-3-( methylthio)butanone DL-3-( methylthio)butanone   Articles:   None found yet. 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Notes: Used as a food additive [EAFUS]