methyl 2-(methyl thio) acetate
methyl (methylthio)acetate

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  16630-66-3 Methyl (methylthio)acetate

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  Endeavour Specialty Chemicals Ltd

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  AT0100 Methyl (methylthio)acetate 98% F&F

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  Robinson Brothers Limited

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  Sigma-Aldrich

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  W400301 Methyl (methylthio)acetate, FG
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  Synerzine, Inc.

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  W1467 Methyl 2-(methylthio) Acetate

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  M2296 Methyl (Methylthio)acetate >99.0%(GC)
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  R C Treatt and Co Ltd

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  Methyl (methylthio)acetate Halal, Kosher

Name: methyl 2-methylsulfanylacetate CAS Number: 16630-66-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 240-683-4 FDA UNII: GN58C28ML9 Nikkaji Web: J318.271A Beilstein Number: 1902431 MDL: MFCD00039809 CoE Number: 11525 XlogP3-AA: 0.80 (est) Molecular Weight: 120.17116000 Formula: C4 H8 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: 1691 methyl (methylthio)acetate DG SANTE Food Flavourings: 12.146 methyl (methylithio)acetate FEMA Number: 4003 methyl (methylthio)acetate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 16630-66-3 ; METHYL (METHYLTHIO)ACETATE   Physical Properties: Appearance: colorless to yellow clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.10500 to 1.11500 @ 20.00 °C. Pounds per Gallon - (est).: 9.205 to 9.289 Refractive Index: 1.46400 to 1.46600 @ 20.00 °C. Boiling Point: 49.00 to 51.00 °C. @ 12.00 mm Hg Boiling Point: 145.00 °C. @ 760.00 mm Hg Vapor Pressure: 2.767000 mmHg @ 25.00 °C. (est) Flash Point: 136.00 °F. TCC ( 57.78 °C. ) logP (o/w): 0.554 (est) Soluble in:   alcohol   water, 4.059e+004 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: nutty sulfurous cooked potato baked potato roasted nutty fruity tropical Odor Description:at 0.10 % in dipropylene glycol. sulfurous cooked potato roasted nut fruity tropical Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Methyl (methylthio)acetate Endeavour Specialty Chemicals Methyl (methylthio)acetate 98% F&F Speciality Chemical Product Groups Penta International METHYL (METHYLTHIO) ACETATE R C Treatt & Co Ltd Methyl (methylthio)acetate Halal, Kosher Odor: sweet, fruity, tropical Robinson Brothers Methyl (methylthio)acetate F&F https://www.robinsonbrothers.uk/chemistry-competences Santa Cruz Biotechnology For experimental / research use only. Methyl (methylthio)acetate Sigma-Aldrich Methyl (methylthio)acetate, FG sds Certified Food Grade Products Synerzine Methyl 2-(methylthio) Acetate TCI AMERICA For experimental / research use only. Methyl (Methylthio)acetate >99.0%(GC) sds   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 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 36 - Wear suitable protective clothing.   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 methyl 2-(methyl thio) acetate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (μg/person/day) NOEL (No Observed Effect Level): 1.4 (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: 20 Click here to view publication 20   average usual ppm average maximum ppm baked goods: 4.00000 8.00000 beverages(nonalcoholic): 2.00000 4.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: 8.00000 16.00000 condiments / relishes: 2.00000 4.00000 confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 2.00000 4.00000 fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: 2.00000 4.00000 hard candy: 4.00000 8.00000 imitation dairy: 2.00000 4.00000 instant coffee / tea: - - jams / jellies: - - meat products: 2.00000 4.00000 milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: 2.00000 4.00000 soft candy: 2.00000 4.00000 soups: 2.00000 4.00000 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): 0.40000 2.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.20000 1.00000 Edible ices, including sherbet and sorbet (03.0): 0.40000 2.00000 Processed fruit (04.1): 0.30000 1.50000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 0.40000 2.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.20000 1.00000 Bakery wares (07.0): 0.40000 2.00000 Meat and meat products, including poultry and game (08.0): 0.10000 0.40000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.10000 0.40000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.20000 1.00000 Foodstuffs intended for particular nutritional uses (13.0): 0.40000 2.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.20000 1.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.40000 2.00000 Ready-to-eat savouries (15.0): 1.00000 5.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.20000 1.00000   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 :85522 National Institute of Allergy and Infectious Diseases:Data WISER:UN 3272 WGK Germany:3 methyl 2-methylsulfanylacetate Chemidplus:0016630663   References:   methyl 2-methylsulfanylacetate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 16630-66-3 Pubchem (cid): 85522 Pubchem (sid): 135258729 Flavornet: 16630-66-3   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 KEGG (GenomeNet): C03173 HMDB (The Human Metabolome Database): HMDB35646 FooDB: FDB014356 Export Tariff Code: 2930.90.9190 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   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 balsamic balsamic ethyl alpha-acetyl cinnamate FL/FR iso propyl cinnamate FL/FR burnt 2- ethyl-3,5(or 6)-dimethyl pyrazine FL/FR caramellic iso propenyl pyrazine FL/FR strawberry furanone acetate FL/FR chocolate cocoa hexenal FL/FR 2,5- dimethyl pyrazine FL/FR 2,6- dimethyl pyrazine FL/FR earthy 2- ethyl-3-methoxypyrazine FL/FR nutty pyrazine FL/FR ethereal iso propyl formate FL/FR iso valeraldehyde propylene glycol acetal FL/FR fatty coconut absolute FL/FR floral para- anisyl butyrate FL/FR (-)-alpha- bisabolol FL/FR black currant bud concrete FL/FR alpha- ionone FL/FR phenethyl acetate FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR rose butanoate FL/FR styralyl isobutyrate FL/FR fruity allyl 2-ethyl butyrate FL/FR allyl cyclohexyl propionate FL/FR benzaldehyde FL/FR iso butyl isobutyrate FL/FR butyl isobutyrate FL/FR ethyl (Z)-4-heptenoate FL/FR guaiacyl propionate FL/FR heptyl butyrate FL/FR neocaspirene FL/FR strawberry furanone butyrate FL/FR green 2-tert- butyl pyrazine FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR heptanal dimethyl acetal FL/FR 2- heptyl furan FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate 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 viridiflorol FL/FR nutty 2- acetyl-3-ethyl pyrazine FL/FR 2- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR 3,6- cocoa pyrazine FL/FR 3,5- cocoa pyrazine FL/FR filbert heptenone FL/FR filbert heptenone B FL/FR methoxymethyl pyrazine FL/FR nutty quinoxaline FL/FR sesame absolute FL/FR sulfurous buchu mercaptan FL/FR furfuryl thioacetate 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 vegetable methional FL/FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these (-)-alpha- bisabolol FL/FR 2-tert- butyl pyrazine FL/FR cocos nucifera water FL cyclotene butyrate FL 6,7- dihydro-2,3-dimethyl-5H-cyclopentapyrazine FL dimethyl dihydrocyclopentapyrazine FL 6,7- dimethyl dihydrocyclopentapyrazine FL 2,5- dimethyl pyrazine and 2,6-dimethyl pyrazine mixture FL 2,5- dimethyl thiazole FL S-(2,5- dimethyl-3-furyl) ethane thioate FL ethyl 2-(methyl thio) acetate FL ethyl 3-octenoate FL ethyl alpha-acetyl cinnamate FL/FR 2- ethyl-3-methoxypyrazine FL/FR 2- ethyl-3,5(or 6)-dimethyl pyrazine FL/FR green pea pyrazine FL guaiacyl propionate FL/FR 2- methoxy-3-propyl pyrazine FL 4-( methyl thio) butanol FL (E)-6- methyl-3-hepten-2-one FL/FR neocaspirene FL/FR 3- nonen-4-olide FL/FR S- prenyl thioisobutyrate FL S- prenyl thioisovalerate FL pyrazines mixture FL sorbyl propionate FL styralyl isobutyrate FL/FR sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR S- tropical 2-thiobutyrate FL/FR viridiflorol FL/FR 5- acetyl-2,3-dihydro-1,4-thiazine FL allyl thiohexanoate FL sulfuryl formate FL sulfuryl octanoate FL/FR sulfuryl propionate FL/FR alliaceous alliaceous 3- mercapto-2-pentanone FL 2- methyl thioacetaldehyde FL anisic para- anisyl butyrate FL/FR balsamic iso propyl cinnamate FL/FR burnt 2- methyl quinoxaline FL iso propenyl pyrazine FL/FR caramellic strawberry furanone acetate FL/FR cheesy methyl ketones FL cocoa cocoa hexenal FL/FR creamy triacetin FL ethereal allyl 2-ethyl butyrate FL/FR fatty coconut absolute FL/FR 2- heptyl furan FL/FR fishy 4,5- dimethyl thiazole FL floral alpha- ionone FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR fruity allyl cyclohexyl propionate FL/FR benzaldehyde FL/FR butyl isobutyrate FL/FR iso butyl isobutyrate FL/FR black currant bud concrete FL/FR ethyl (Z)-4-heptenoate FL/FR 2- ethyl-2,5-dihydro-4-methyl thiazole FL (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR hexyl 2-methyl-3-pentenoate FL/FR hexyl hexanoate FL/FR 3- mercaptohexyl hexanoate FL passion fruit distillates FL iso propyl formate FL/FR rose butanoate FL/FR strawberry furanone butyrate FL/FR 4- tropical oxathiane FL/FR iso valeraldehyde propylene glycol acetal FL/FR green 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 1- penten-3-ol FL/FR phenoxyethyl isobutyrate FL/FR propylene glycol acetone ketal FL herbal barosma betulina leaf oil FL/FR buchu oil fractions FL honey phenethyl acetate FL/FR juicy lychee mercaptan acetate FL/FR meaty 2,6- dimethyl pyrazine FL/FR milky dextro,laevo-3-( methyl thio) butanone FL musty 2,5- dimethyl pyrazine FL/FR 2- ethoxythiazole FL nutty 3- acetyl-2,5-dimethyl thiophene FL 2- acetyl-3-ethyl pyrazine FL/FR 2- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR arachis hypogaea fruit extract FL 3,5- cocoa pyrazine FL/FR 3,6- cocoa pyrazine FL/FR 1- ethyl-2-acetyl pyrrole FL 2- ethyl-6-methyl pyrazine FL filbert heptenone FL/FR filbert heptenone B FL/FR methoxymethyl pyrazine FL/FR nutty pyrazine FL/FR nutty quinoxaline FL/FR sesame absolute FL/FR popcorn 2- propionyl-2-thiazoline FL roasted 3,5- diisobutyl-1,2,4-trithiolane FL furfuryl thioacetate FL/FR sulfurous buchu mercaptan FL/FR methyl 2-(methyl thio) butyrate FL methyl thiomethyl butyrate FL potato butanone FL tropical 3-thiobutyrate FL/FR tomato methional FL/FR tropical anacardium occidentale fruit puree FL 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 potato butyraldehyde FL winey 5- ethyl-2-methyl pyridine FL   Potential Uses: FR fruit FL kiwi FL melon FL nut FL papaya FL pineapple   Occurrence (nature, food, other):note   kiwi fruit Search Trop Picture   melon Search PMC Picture   papaya fruit Search Trop Picture   pineapple fruit Search Trop Picture   Synonyms:   acetic acid, (methylthio)-, methyl ester   acetic acid, 2-(methylthio)-, methyl ester   methyl (methyl thio) acetate   methyl (methylithio)acetate   methyl (methylmercapto)acetate   methyl (methylsulfanyl)acetate   methyl (methylthio) acetate   methyl (methylthio)acetate   methyl 2-(methylsulfanyl)acetate   methyl 2-(methylthio) acetate   methyl 2-(methylthio)acetate   methyl 2-methyl sulfanyl acetate   methyl 2-methylsulfanylacetate ( methyl thio) acetic acid methyl ester   methyl-2-(methyl thio) acetate   methyl-2-(methylthio) acetate ( methylthio)acetic acid methyl ester   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]