(methyl thio) methyl hexanoate
methylthiomethyl hexanoate

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  BOC Sciences

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  Product(s):
  74758-91-1 Methylthiomethyl Hexanoate

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  Penta International Corporation

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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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  Product(s):
  13-70575 METHYLTHIOMETHYL HEXANOATE

• 
  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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  CODE146852 CODE146852
  Product(s):
  Methyl thiomethyl hexanoate Kosher
  Use adds a creamy cheesy note to dairy flavors at 0.5ppm.

CAS Number: 74758-91-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 277-988-7 FDA UNII: 2VJ58GF47Z Nikkaji Web: J349.457H CoE Number: 12199 XlogP3-AA: 2.80 (est) Molecular Weight: 176.27892000 Formula: C8 H16 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: 479 methylthiomethyl hexanoate DG SANTE Food Flavourings: 12.188 methylthiomethyl hexanoate FEMA Number: 3880 methylthiomethyl hexanoate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 74758-91-1 ; METHYLTHIOMETHYL HEXANOATE   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.89000 to 0.89500 @ 25.00 °C. Pounds per Gallon - (est).: 7.406 to 7.447 Boiling Point: 223.00 to 224.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.094000 mmHg @ 25.00 °C. (est) Flash Point: 191.00 °F. TCC ( 88.33 °C. ) logP (o/w): 2.674 (est) Soluble in:   alcohol   oil   water, very slightly   water, 488.3 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity Odor Description:Use adds a creamy cheesy note to dairy flavors at 0.5ppm.pineapple Flavor Type: fruity pineapple fruity tropical creamy Taste Description: pineapple fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Methylthiomethyl Hexanoate Parchem (methyl thio) methyl hexanoate Penta International METHYLTHIOMETHYL HEXANOATE R C Treatt & Co Ltd Methyl thiomethyl hexanoate Kosher Odor: pineapple, fruity Flavor: creamy Use adds a creamy cheesy note to dairy flavors at 0.5ppm.   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 (methyl thio) methyl hexanoate 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: 300.00000 300.00000 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 Substance Registry Services (TSCA):74758-91-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :173312 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 methylsulfanylmethyl hexanoate Chemidplus:0074758911   References:   methylsulfanylmethyl hexanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 173312 Pubchem (sid): 135192763   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): HMDB38300 FooDB: FDB017629 ChemSpider: View FAO: Methylthiomethyl hexanoate   Potential Blenders and core components note For Odor acidic 2- ethyl butyric acid FL/FR amber ambroxan FL/FR balsamic abies alba needle oil FL/FR iso bornyl acetate FL/FR fir balsam absolute replacer FL/FR linalyl cinnamate FL/FR iso propyl cinnamate FL/FR verbenol FL/FR camphoreous fenchol FL/FR cheesy heptanoic acid FL/FR chemical propyl propionate FL/FR earthy (-)-alpha- fenchol FL/FR ethereal propyl valerate FL/FR fatty allyl decanoate FL/FR allyl octanoate FL/FR methyl 10-undecenoate FL/FR methyl 2-hexenoate FL/FR 5- methyl-5-hexen-2-one FL/FR floral black currant bud concrete FL/FR gelsone (IFF) FL/FR geranyl acetone FL/FR geranyl propionate FL/FR geranyl valerate FL/FR jasmin absolute egypt (from concrete) FL/FR lilac pentanol FL/FR cis- muguet shiseol FL/FR phenethyl isovalerate FL/FR rhodinyl isobutyrate FL/FR styralyl propionate FL/FR fruity allyl 3,5,5-trimethyl hexanoate FL/FR allyl cinnamate FL/FR allyl cyclohexyl acetate FL/FR allyl cyclohexyl butyrate FL/FR allyl cyclohexyl propionate FL/FR allyl heptanoate FL/FR allyl hexanoate FL/FR allyl isovalerate FL/FR allyl phenoxyacetate FL/FR amyl butyrate FL/FR iso amyl hexanoate FL/FR iso amyl octanoate FL/FR amyl propionate FL/FR iso amyl propionate FL/FR apple ketal FL/FR benzyl butyrate FL/FR benzyl ethyl ether FL/FR iso butyl butyrate FL/FR iso butyl hexanoate FL/FR butyl hexanoate FL/FR iso butyl isobutyrate FL/FR butyl isovalerate FL/FR butyl valerate FL/FR cinnamyl isobutyrate FL/FR diethyl malonate FL/FR ethyl (E)-3-hexenoate FL/FR ethyl (Z)-4-octenoate FL/FR ethyl 2-methyl butyrate FL/FR ethyl 2-octenoate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hexenoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl 3-methyl valerate FL/FR ethyl 5-hydroxyoctanoate FL/FR ethyl butyrate FL/FR ethyl cyclohexane propionate FL/FR ethyl heptanoate FL/FR ethyl hexanoate FL/FR ethyl isovalerate FL/FR ethyl lactate FL/FR (E,E)- ethyl sorbate FL/FR ethyl valerate FL/FR heliotropyl isobutyrate FL/FR heptyl isobutyrate FL/FR methyl (Z)-5-octenoate FL/FR methyl 2-methyl valerate FL/FR methyl 4-methyl valerate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR methyl hexanoate FL/FR methyl isovalerate FL/FR 3- phenyl propyl hexanoate FL/FR pineapple essence FL/FR pineapple hydroxyhexanoate FL/FR pineapple pentenoate FL/FR iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR propyl heptanoate FL/FR iso propyl hexanoate FL/FR propyl hexanoate FL/FR iso propyl isobutyrate FL/FR strawberry furanone butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical dienoate (Bedoukian) FL/FR tropical thiazole FL/FR green cognac heptanone FL/FR ethyl (E)-4-decenoate FL/FR green ether FL/FR green note propionate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (E)-2- hexen-1-yl valerate FL/FR 4- hexenol FL/FR 3- hexenyl 2-methyl butyrate FL/FR marigold pot absolute FL/FR methyl (E)-3-hexenoate FL/FR methyl octine carbonate FL/FR terpinyl propionate FL/FR herbal dehydroxylinalool oxide FL/FR hyssop oil FL/FR alpha- pinene FL/FR beta- pinene FL/FR pinocarveol FL/FR theaspirane FL/FR nutty 2- methyl-3-ethoxypyrazine FL/FR oily petal pyranone FL/FR soapy benzyl laurate FL/FR spicy (E)- cinnamyl isovalerate FL/FR sulfurous ethyl methyl mercaptopropionate FL/FR grapefruit menthane FL/FR lychee mercaptan acetate FL/FR 4- methoxy-2-methyl butane thiol FL/FR methyl 3-(methyl thio) propionate FL/FR passiflora acetate FL/FR 4- tropical oxathiane FL/FR terpenic pine needle oil dwarf FL/FR tropical cis- galbanum oxathiane FL/FR hexyl 2-methyl-3-pentenoate FL/FR passiflora edulis fruit extract FL/FR psidium guajava fruit extract FL/FR tropical 3-thiobutyrate FL/FR waxy ethyl nonanoate FL/FR ethyl octanoate FL/FR heptyl octanoate FL/FR woody iso bornyl isovalerate FL/FR (+)- camphene FL/FR longifolene FL/FR sabinene FL/FR alpha- terpinene FL/FR vetiver oil haiti FL/FR For Flavor No flavor group found for these allyl 3,5,5-trimethyl hexanoate FL/FR allyl cinnamate FL/FR allyl cyclohexyl butyrate FL/FR allyl cyclohexyl valerate FL amyl propionate FL/FR benzyl ethyl ether FL/FR (+)- camphene FL/FR 9- decen-2-one FL ethyl 3-methyl valerate FL/FR ethyl 5-hydroxyoctanoate FL/FR ethyl cyclohexane propionate FL/FR ethyl cyclohexyl carboxylate FL geranyl valerate FL/FR methyl 2-hexenoate FL/FR 2- methyl-3-ethoxypyrazine FL/FR iso propyl hexanoate FL/FR iso propyl isobutyrate FL/FR propyl valerate FL/FR sorbyl propionate FL acidic acidic 2- ethyl butyric acid FL/FR alliaceous tropical thiazole FL/FR balsamic fir balsam absolute replacer FL/FR iso propyl cinnamate FL/FR berry berry colada flavor FL berry flavor FL wild blackberry flavor FL blueberry distillates FL blueberry flavor FL wild blueberry flavor FL heptyl isobutyrate FL/FR bubble gum bubble gum flavor FL camphoreous fenchol FL/FR (-)-alpha- fenchol FL/FR pinocarveol FL/FR chocolate cupuaçu raspberry flavor FL citrus cognac heptanone FL/FR styralyl propionate FL/FR cooling theaspirane FL/FR dairy methyl (Z)-5-octenoate FL/FR ethereal benzyl laurate FL/FR 4- hexen-3-one FL 5- methyl-5-hexen-2-one FL/FR fatty allyl octanoate FL/FR ethyl (E)-4-decenoate FL/FR floral geranyl acetone FL/FR jasmin absolute egypt (from concrete) FL/FR jasmin flavor FL cis- muguet shiseol FL/FR rhodinyl isobutyrate FL/FR fruity acai pineapple flavor FL acetyl isovaleryl FL allyl cyclohexyl acetate FL/FR allyl cyclohexyl propionate FL/FR allyl decanoate FL/FR allyl heptanoate FL/FR allyl hexanoate FL/FR allyl isovalerate FL/FR allyl phenoxyacetate FL/FR bitter almond flavor FL amyl butyrate FL/FR iso amyl hexanoate FL/FR iso amyl octanoate FL/FR iso amyl propionate FL/FR apple ketal FL/FR apple pear flavor FL apricot banana flavor FL apricot berry flavor FL apricot papaya flavor FL banana bergamot flavor FL banana berry flavor FL banana blueberry flavor FL banana coconut cream flavor FL banana concentrate FL banana distillates FL ripe banana flavor FL banana peach flavor FL banana pineapple flavor FL banana strawberry flavor FL benzyl butyrate FL/FR iso butyl butyrate FL/FR butyl hexanoate FL/FR iso butyl hexanoate FL/FR iso butyl isobutyrate FL/FR butyl isovalerate FL/FR butyl valerate FL/FR cherimoya flavor FL wild cherry flavor FL cherry pineapple flavor FL cinnamyl isobutyrate FL/FR (E)- cinnamyl isovalerate FL/FR cupuacu flavor FL black currant bud concrete FL/FR diethyl malonate FL/FR ethyl (E)-2-octenoate FL ethyl (E)-3-hexenoate FL/FR ethyl (Z)-4-octenoate FL/FR ethyl 2-methyl butyrate FL/FR ethyl 2-octenoate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hexenoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl 3-oxohexanoate FL ethyl butyrate FL/FR ethyl heptanoate FL/FR ethyl hexanoate FL/FR ethyl isovalerate FL/FR ethyl lactate FL/FR (E,E)- ethyl sorbate FL/FR ethyl valerate FL/FR fruit flavor FL tropical fruit flavor FL furfuryl valerate FL guanabana flavor FL guava pineapple flavor FL guava pineapple mango flavor FL heliotropyl isobutyrate FL/FR 2,4- hexadien-1-ol FL hexyl 2-methyl-3-pentenoate FL/FR jackfruit flavor FL kiwi flavor FL lilac pentanol FL/FR linalyl cinnamate FL/FR lychee flavor FL mango passion fruit pineapple flavor FL mango peach pineapple flavor FL 2- mercapto-4-heptanol FL 3- mercaptohexyl hexanoate FL methionyl butyrate FL methyl 2-methyl valerate FL/FR methyl 4-methyl valerate FL/FR 2- methyl allyl butyrate FL 2- methyl butyl 2-methyl butyrate FL/FR methyl hexanoate FL/FR methyl isovalerate FL/FR (Z)-5- octen-1-yl acetate FL orange pineapple banana flavor FL orange pineapple passion fruit flavor FL papaya guava flavor FL passion fruit distillates FL phenethyl isovalerate FL/FR 3- phenyl propyl hexanoate FL/FR pineapple distillates FL pineapple enhancer FL pineapple essence FL/FR sour pineapple flavor FL pineapple flavor FL pineapple hydroxyhexanoate FL/FR pineapple juice concentrate FL pineapple juice flavor FL pineapple orange banana flavor FL pineapple orange guava flavor FL pineapple orange strawberry flavor FL pineapple pentenoate FL/FR pineapple strawberry banana flavor FL iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR propyl hexanoate FL/FR salacca zalacca fruit FL snake fruit flavor FL strawberry furanone butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical dienoate (Bedoukian) FL/FR 4- tropical oxathiane FL/FR tropicolada flavor FL green cis- galbanum oxathiane FL/FR gelsone (IFF) FL/FR green ether FL/FR green note propionate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (E)-2- hexen-1-yl valerate FL/FR 3- hexenyl 2-methyl butyrate FL/FR marigold pot absolute FL/FR methyl (E)-3-hexenoate FL/FR methyl octine carbonate FL/FR terpinyl propionate FL/FR herbal hyssop oil FL/FR verbenol FL/FR juicy lychee mercaptan acetate FL/FR metallic 4- hexenol FL/FR minty (1R)-(-)- myrtenal FL oily petal pyranone FL/FR pine pine needle oil dwarf FL/FR beta- pinene FL/FR spruce beer flavor FL sour goldenberry flavor FL rambutan flavor FL spicy ginger pineapple flavor FL sulfurous ethyl methyl mercaptopropionate FL/FR grapefruit menthane FL/FR 4- methoxy-2-methyl butane thiol FL/FR tropical 3-thiobutyrate FL/FR tart yumberry flavor FL terpenic abies alba needle oil FL/FR para- menthatriene FL alpha- terpinene FL/FR tropical 3- mercaptohexyl butyrate FL orange mango pineapple flavor FL passiflora acetate FL/FR passiflora edulis fruit extract FL/FR pina colada flavor FL propyl propionate FL/FR psidium guajava fruit FL psidium guajava fruit extract FL/FR vegetable methyl 3-(methyl thio) propionate FL/FR waxy ethyl nonanoate FL/FR ethyl octanoate FL/FR geranyl propionate FL/FR heptanoic acid FL/FR heptyl octanoate FL/FR methyl 10-undecenoate FL/FR propyl heptanoate FL/FR woody ambroxan FL/FR iso bornyl acetate FL/FR iso bornyl isovalerate FL/FR dehydroxylinalool oxide FL/FR longifolene FL/FR alpha- pinene FL/FR sabinene FL/FR vetiver oil haiti FL/FR   Potential Uses: FL cheese FR cream FL dairy FL fruit tropical fruit   Occurrence (nature, food, other):note   not found in nature   Synonyms:   hexanoic acid (methyl thio) methyl ester   hexanoic acid, (methylthio)methyl ester (( methyl thio)methyl) hexanoate   methyl thiomethyl hexanoate ( methyl thiomethyl) hexanoate ( methylsulfanyl)methyl hexanoate   methylsulfanylmethyl hexanoate ( methylthio)methyl hexanoate (( methylthio)methyl)hexanoate ( methylthio)methylhexanoate   methylthiomethyl hexanoate ( methylthiomethyl)hexanoate   Articles:   None found yet. 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Notes: Flavouring agent for baked goods, seasonings etc