methyl thiomethyl butyrate
methylthiomethyl butyrate

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• 
  BOC Sciences

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  CODE149843 CODE149843
  Product(s):
  74758-93-3 Methylthiomethyl Butyrate 95%

• 
  Penta International Corporation

  Chemistry innovation
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  For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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  CODE149843 CODE149843
  Product(s):
  13-70550 METHYLTHIOMETHYL BUTYRATE

• 
  R C Treatt and Co Ltd

  Innovative ingredient solutions
  World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
  We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products.
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  CODE149843 CODE149843
  Product(s):
  Methylthiomethyl butyrate NI, Kosher
  Used at 2ppm, in exotic fruit and dairy flavours. Very slightly soluble in water. Soluble in alcohols and oils.

Name: methylsulfanylmethyl butanoate CAS Number: 74758-93-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 277-989-2 FDA UNII: 9PF86RKU3Z Nikkaji Web: J349.458F CoE Number: 12187 XlogP3-AA: 1.70 (est) Molecular Weight: 148.22504000 Formula: C6 H12 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: 473 methylthiomethyl butyrate DG SANTE Food Flavourings: 12.187 methylthiomethyl butyrate FEMA Number: 3879 methylthiomethyl butyrate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 74758-93-3 ; METHYLTHIOMETHYL BUTYRATE   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 97.00 to 100.00 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: 1.45400 to 1.46400 @ 20.00 °C. Boiling Point: 182.00 to 183.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.818000 mmHg @ 25.00 °C. (est) Flash Point: 155.00 °F. TCC ( 68.33 °C. ) logP (o/w): 1.885 (est) Soluble in:   alcohol   oils   water, very slightly   water, 4534 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: sulfurous sulfurous musty onion fruity tropical metallic vegetable Odor Description:at 0.10 % in propylene glycol. sulfurous musty onion fruity tropical metallic vegetable sulfurous musty onion savory fruity tropical vegetable Odor Description:Sulfureous, musty, onion, savory, fruity and tropical with vegetative nuances Mosciano, Gerard P&F 20, No. 5, 49, (1995) Flavor Type: sulfurous sulfurous savory eggy vegetable onion fruity tropical Taste Description: at 2.00 ppm. Sulfureous, savory, eggy, vegetative and onion with fruity, tropical nuances Mosciano, Gerard P&F 20, No. 5, 49, (1995) Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Methylthiomethyl Butyrate 95% DeLong Chemicals America Methylthiomethyl butyrate, Kosher Penta International METHYLTHIOMETHYL BUTYRATE R C Treatt & Co Ltd Methylthiomethyl butyrate NI, Kosher Odor: Metallic, tropical fruit Flavor: tropical Used at 2ppm, in exotic fruit and dairy flavours. Very slightly soluble in water. Soluble in alcohols and oils.   Safety Information: European information : Most important hazard(s): Xi - Irritant R 36/37/38 - Irritating to eyes, respiratory system, and 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 36/37/39 - Wear suitable clothing, 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 methyl thiomethyl butyrate 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: 1.00000 10.00000 beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: 1.00000 2.00000 hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: 1.00000 10.00000 milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: 0.50000 5.00000 reconstituted vegetables: - - seasonings / flavors: 500.00000 500.00000 snack foods: - - soft candy: - - soups: 1.00000 10.00000 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 :3018539 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 methylsulfanylmethyl butanoate Chemidplus:0074758933   References:   methylsulfanylmethyl butanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 3018539 Pubchem (sid): 135249569   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): HMDB38299 FooDB: FDB017628 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View FAO: Methylthiomethyl butyrate   Potential Blenders and core components note For Odor acidic 2- ethyl butyric acid FL/FR alliaceous dibutyl sulfide FL/FR ferula assa-foetida gum oil FL/FR balsamic ethyl alpha-acetyl cinnamate FL/FR iso propyl cinnamate FL/FR caramellic maltyl isobutyrate FL/FR strawberry furanone acetate FL/FR cheesy S-( methyl thio) butyrate FL/FR citrus grapefruit mercaptan FL/FR coconut delta- octalactone FL/FR ethereal 2- methyl-1-butanol FL/FR iso propyl formate FL/FR iso valeraldehyde propylene glycol acetal FL/FR fatty allyl octanoate FL/FR floral para- anisyl butyrate FL/FR benzyl isobutyrate FL/FR citronellyl acetate FL/FR black currant bud concrete FL/FR geranyl propionate FL/FR alpha- ionone FL/FR beta- ocimene FL/FR phenethyl acetate FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR rose butanoate FL/FR styralyl isobutyrate FL/FR fruity allyl butyrate FL/FR allyl cyclohexyl propionate FL/FR allyl hexanoate FL/FR allyl propionate FL/FR amyl butyrate FL/FR iso amyl isovalerate FL/FR iso amyl propionate FL/FR berry pentadienoate FL/FR butyl isobutyrate FL/FR iso butyl isobutyrate FL/FR butyl valerate FL/FR cyclohexyl carboxylic acid FL/FR ethyl (Z)-4-heptenoate FL/FR ethyl 2-octenoate FL/FR ethyl 3-hexenoate FL/FR heptyl butyrate FL/FR 3- mercaptohexyl acetate FL/FR methyl 2-methyl valerate FL/FR methyl nonanoate FL/FR neocaspirene FL/FR iso propyl 2-methyl butyrate FL/FR propyl hexanoate FL/FR propyl isobutyrate FL/FR strawberry furanone butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical ionone FL/FR tropical thiazole FL/FR tropical trithiane FL/FR green ethyl (E,Z)-2,4-decadienoate FL/FR heptanal dimethyl acetal FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl phenyl acetate FL/FR hexyl 2-methyl butyrate FL/FR hexyl hexanoate FL/FR 1- penten-3-ol FL/FR phenoxyethyl isobutyrate FL/FR terpinyl propionate FL/FR herbal barosma betulina leaf oil FL/FR jambu oleoresin FL/FR (E)-6- methyl-3-hepten-2-one FL/FR viridiflorol FL/FR nutty 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR phenolic 2'- hydroxyacetophenone FL/FR sulfurous buchu mercaptan FL/FR cassis pentanone FL/FR grapefruit menthane FL/FR lychee mercaptan acetate FL/FR mango thiol FL/FR passiflora acetate FL/FR 1- phenethyl mercaptan FL/FR S- tropical 2-thiobutyrate FL/FR 4- tropical oxathiane FL/FR terpenic gamma- terpinene FL/FR tropical cis- galbanum oxathiane FL/FR genet absolute FL/FR hexyl 2-methyl-3-pentenoate FL/FR hotrienol 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 2- tropical oxathiane FL/FR vegetable 1- furfuryl pyrrole FL/FR waxy ethyl nonanoate FL/FR nonyl acetate FL/FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these iso amyl 3-methyl thiopropionate 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 methyl 2-(methyl thio) acetate FL S-( methyl thio) hexanoate FL 2- methyl-2-thiazoline FL (E)-6- methyl-3-hepten-2-one FL/FR neocaspirene FL/FR 3- nonen-4-olide FL/FR 1- phenethyl mercaptan FL/FR S- prenyl thioisobutyrate FL S- prenyl thioisovalerate FL sorbyl propionate FL styralyl isobutyrate FL/FR S- tropical 2-thiobutyrate FL/FR viridiflorol FL/FR allyl thiohexanoate FL acidic acidic 2- ethyl butyric acid FL/FR alliaceous allyl propionate FL/FR dipropyl trisulfide FL ferula assa-foetida gum oil FL/FR 2- methyl thioacetaldehyde FL tropical thiazole FL/FR anisic para- anisyl butyrate FL/FR balsamic iso propyl cinnamate FL/FR caramellic strawberry furanone acetate FL/FR cheesy methyl ketones FL citrus grapefruit mercaptan FL/FR coconut delta- octalactone FL/FR cooling jambu oleoresin FL/FR creamy triacetin FL ethereal 4- hexen-3-one FL 2- methyl-1-butanol FL/FR fatty allyl octanoate FL/FR floral citronellyl acetate FL/FR hotrienol FL/FR alpha- ionone FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR tropical ionone FL/FR fruity allyl cyclohexyl propionate FL/FR allyl hexanoate FL/FR amyl butyrate FL/FR iso amyl propionate FL/FR benzyl isobutyrate FL/FR berry pentadienoate FL/FR butyl isobutyrate FL/FR iso butyl isobutyrate FL/FR butyl valerate FL/FR black currant bud concrete FL/FR cyclohexyl carboxylic acid FL/FR ethyl (Z)-4-heptenoate FL/FR ethyl 2-octenoate FL/FR ethyl 3-hexenoate FL/FR (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 methyl 2-methyl valerate FL/FR passion fruit distillates FL iso propyl 2-methyl butyrate FL/FR iso propyl formate FL/FR propyl hexanoate FL/FR propyl isobutyrate FL/FR rose butanoate FL/FR strawberry furanone butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR 4- tropical oxathiane FL/FR tropical trithiane FL/FR iso valeraldehyde propylene glycol acetal FL/FR green allyl butyrate FL/FR iso amyl isovalerate FL/FR cassis pentanone FL/FR dibutyl sulfide 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 (Z)-3- hexen-1-yl phenyl acetate FL/FR hexyl 2-methyl butyrate FL/FR beta- ocimene FL/FR 1- penten-3-ol FL/FR phenoxyethyl isobutyrate FL/FR terpinyl propionate FL/FR hay genet absolute FL/FR herbal barosma betulina leaf oil FL/FR buchu oil fractions FL honey phenethyl acetate FL/FR jammy maltyl isobutyrate FL/FR juicy lychee mercaptan acetate FL/FR meaty 3- mercapto-2-butanone FL pyrazinyl ethane thiol FL musty S-( methyl thio) butyrate FL/FR naphthyl 2'- hydroxyacetophenone FL/FR nutty 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR oily tetrahydrofurfuryl propionate FL sulfurous buchu mercaptan FL/FR S- ethyl thioacetate FL grapefruit menthane FL/FR mango thiol FL/FR methyl 2-(methyl thio) butyrate FL 3- methyl-2-butane thiol FL tropical 3-thiobutyrate FL/FR terpenic gamma- terpinene FL/FR tropical 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 2- tropical oxathiane FL/FR vegetable 1- furfuryl pyrrole FL/FR 2- octen-4-one FL/FR waxy ethyl nonanoate FL/FR geranyl propionate FL/FR nonyl acetate FL/FR winey methyl nonanoate FL/FR   Potential Uses: FL dairy FL fruit tropical fruit FL garlic FL mango FL onion FR papaya FL pineapple FL tropical   Occurrence (nature, food, other):note   found in nature   Synonyms:   butanoic acid, (methylthio)methyl ester   methyl 2-methyl thiobutyrate ( methyl thio) methyl butyrate (( methyl thio)methyl) butyrate ( methyl thiomethyl) butyrate ( methylsulfanyl)methyl butyrate   methylsulfanylmethyl butanoate ( methylthio)methyl butyrate (( methylthio)methyl)butyrate ( methylthio)methylbutyrate   methylthiomethyl butyrate ( methylthiomethyl)butyrate   Articles:   None found yet. Try the PubMed Search.

Notes: Flavouring agent esp. for seasonings