methional diethyl acetal
1,1-diethoxy-3-methylsulfanylpropane

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  16630-61-8 1,1-diethoxy-3-methylsulfanylpropane

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CAS Number: 16630-61-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 240-681-3 FDA UNII: X22S1I598Y Nikkaji Web: J318.269J XlogP3-AA: 1.80 (est) Molecular Weight: 178.29486000 Formula: C8 H18 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: 1940 methional diethyl acetal FEMA Number: 4590 methional diethyl acetal FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 16630-61-8 ; METHIONAL DIETHYL ACETAL   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 96.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.95200 to 0.95800 @ 20.00 °C. Pounds per Gallon - (est).: 7.931 to 7.981 Refractive Index: 1.44700 to 1.45300 @ 20.00 °C. Boiling Point: 229.00 to 231.00 °C. @ 760.00 mm Hg Boiling Point: 118.00 to 119.00 °C. @ 50.00 mm Hg Vapor Pressure: 0.099000 mmHg @ 25.00 °C. (est) Flash Point: 199.00 °F. TCC ( 92.78 °C. ) logP (o/w): 1.826 (est) Soluble in:   alcohol   water, 1686 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note acrolein diethyl acetal alpha-amyl cinnamaldehyde diethyl acetal para-anisaldehyde diethyl acetal benzaldehyde diethyl acetal butyraldehyde diethyl acetal isobutyraldehyde diethyl acetal cinnamaldehyde diethyl acetal citral diethyl acetal citronellal diethyl acetal citronellyl oxyacetaldehyde diethyl acetal crotonaldehyde diethyl acetal cyclamen aldehyde diethyl acetal cyclohexanone diethyl acetal decanal diethyl acetal (Z)-4-decen-1-al diethyl acetal dodecanal diethyl acetal 3-ethoxypropionaldehyde diethyl acetal ethyl vanillin diethyl acetal formaldehyde diethyl acetal furfural diethyl acetal heliotropyl diethyl acetal heptanal diethyl acetal (Z)-4-hepten-1-al diethyl acetal hexanal diethyl acetal (Z)-3-hexen-1-al diethyl acetal (E)-2-hexen-1-al diethyl acetal alpha-hexyl cinnamaldehyde diethyl acetal hydroxycitronellal diethyl acetal 2-methyl butyraldehyde diethyl acetal (E,Z)-2,6-nonadien-1-al diethyl acetal nonanal diethyl acetal isononanal diethyl acetal octanal diethyl acetal isooctanal diethyl acetal phenyl acetaldehyde diethyl acetal propionaldehyde diethyl acetal tridecanal diethyl acetal undecanal diethyl acetal valeraldehyde diethyl acetal isovaleraldehyde diethyl acetal   Organoleptic Properties: Odor Type: cabbage pungent cabbage Odor Description:at 0.10 % in propylene glycol. pungent cabbage Flavor Type: mushroom mushroom onion green sweet tomato garlic Taste Description: mushroom onion green sweet tomato garlic Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. Propane,1,1-diethoxy-3-(methylthio)- BOC Sciences For experimental / research use only. 1,1-diethoxy-3-methylsulfanylpropane Parchem methional diethyl acetal Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   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 methional diethyl acetal usage levels up to:   not for fragrance use.   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: 24 Click here to view publication 24   average usual ppm average maximum ppm baked goods: 0.02000 0.10000 beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: 0.02000 0.08000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: 0.03000 0.10000 sugar substitutes: - - sweet sauces: - -   Safety References: 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 :85521 National Institute of Allergy and Infectious Diseases:Data 1,1-diethoxy-3-methylsulfanylpropane Chemidplus:0016630618   References:   1,1-diethoxy-3-methylsulfanylpropane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 85521 Pubchem (sid): 135043710   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): HMDB41608 FooDB: FDB021763 ChemSpider: View FAO: Methional diethyl acetal   Potential Blenders and core components note For Odor alliaceous propyl mercaptan FL/FR animal methyl (E)-2-octenoate FL/FR coffee coffee difuran FL/FR creamy 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR earthy 1- octen-3-one FL/FR fatty (E)-2- octenal FL/FR floral (Z)-3- hexen-1-yl salicylate FL/FR rose butanoate FL/FR fruity iso butyl 2-butenoate FL/FR iso butyl isovalerate FL/FR ethyl 3-hexenoate FL/FR (E,E)- ethyl sorbate FL/FR neryl isobutyrate FL/FR prenyl acetate FL/FR green hexyl isobutyrate FL/FR phenethyl tiglate FL/FR herbal clary sage absolute FL/FR honey methyl phenyl acetate FL/FR musty ketoiso phorone FL/FR spicy methyl heptadienone FL/FR sulfurous dimethyl disulfide FL/FR methyl mercaptan FL/FR S- tropical 2-thiobutyrate FL/FR For Flavor No flavor group found for these 3- hydroxypyruvic acid FL mercaptoacetaldehyde FL methionyl acetate FL S- methyl benzothioate FL 4-( methyl thio) butanol FL S-( methyl thio) hexanoate FL 2-( methyl thio) methyl-2-butenal FL 2- methyl-5-methoxythiazole FL iso propyl disulfide FL S- tropical 2-thiobutyrate FL/FR alliaceous alliaceous propyl mercaptan FL/FR truffle sulfide FL citrus ketoiso phorone FL/FR coffee coffee difuran FL/FR earthy 1- octen-3-one FL/FR fatty (E)-2- octenal FL/FR floral methyl phenyl acetate FL/FR fruity ethyl 3-hexenoate FL/FR ethyl 3-oxohexanoate FL (E,E)- ethyl sorbate FL/FR 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR methyl (E)-2-octenoate FL/FR neryl isobutyrate FL/FR prenyl acetate FL/FR rose butanoate FL/FR green iso butyl 2-butenoate FL/FR iso butyl isovalerate FL/FR (E)-2- heptenal FL (Z)-3- hexen-1-yl salicylate FL/FR hexyl isobutyrate FL/FR methyl heptadienone FL/FR phenethyl tiglate FL/FR herbal clary sage absolute FL/FR meaty pyrazinyl ethane thiol FL onion methyl propyl disulfide FL sulfurous dimethyl disulfide FL/FR ethyl methyl sulfide FL methyl 4-(methyl thio) butyrate FL methyl benzyl disulfide FL methyl mercaptan FL/FR methyl thioacetate FL sweet acetone alcohol FL vegetable potato butyraldehyde FL   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: 1,1- diethoxy-3-(methyl sulfanyl) propane 1,1- diethoxy-3-(methylsulfanyl)propane 1,1- diethoxy-3-(methylthio)propane 1,1- diethoxy-3-methylsulfanylpropane   propane, 1,1-diethoxy-3-(methylthio)-   propane,1,1-diethoxy-3-(methylthio)-   Articles:   None found yet. 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Notes: Flavouring ingredient [CCD]