(±)-2-mercapto-5-methylheptan-4-one
4-heptanone, 2-mercapto-5-methyl-

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Name: 5-methyl-2-sulfanyl-4-heptanone CAS Number: 1416051-88-1 3D/inchi FDA UNII: ION6Z9RT3U Beilstein Number: 26910448 XlogP3-AA: 2.00 (est) Molecular Weight: 160.27972000 Formula: C8 H16 O 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 Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search FEMA Number: 4779 (±)-2-mercapto-5-methylheptan-4-one FDA: No longer provide for the use of these seven synthetic flavoring substances   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Soluble in:   water, 1292 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Type: tropical gassy tropical grapefruit grape Odor Description:at 0.01 % in ethyl alcohol. gassy, tropical, grapefruit, muscat grape, grapes on the vine Flavor Type: earthy mushroom meaty roasted nutty toasted hazelnut Taste Description: at 20.00 ppb in water. mushroom, meaty, roasted, nutty, toasted, and hazelnut Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: 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 (±)-2-mercapto-5-methylheptan-4-one 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: 27 Click here to view publication 27   average usual ppm average maximum ppm baked goods: 0.03000 0.10000 beverages(nonalcoholic): 0.01000 0.10000 beverages(alcoholic): 0.02000 0.10000 breakfast cereal: 0.03000 0.10000 cheese: - - chewing gum: 0.10000 0.20000 condiments / relishes: 0.01000 0.10000 confectionery froastings: 0.05000 0.10000 egg products: - - fats / oils: - - fish products: - - frozen dairy: 0.05000 0.10000 fruit ices: 0.00500 0.05000 gelatins / puddings: 0.03000 0.10000 granulated sugar: - - gravies: 0.01000 0.10000 hard candy: 0.10000 0.20000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: 0.02000 0.10000 processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 0.00500 0.20000 snack foods: 0.01000 0.10000 soft candy: 0.05000 0.10000 soups: 0.03000 0.10000 sugar substitutes: - - sweet sauces: 0.03000 0.10000   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 :86723329 National Institute of Allergy and Infectious Diseases:Data 5-methyl-2-sulfanyl-4-heptanone Chemidplus:1416051881   References:   5-methyl-2-sulfanyl-4-heptanone NIST Chemistry WebBook: Search Inchi Pubchem (cid): 86723329 Pubchem (cas): 1416051-88-1   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 HMDB (The Human Metabolome Database): Search VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor balsamic 2- acetyl furan FL/FR coffee coffea arabica seed extract FL/FR earthy nutty pyrazine FL/FR fruity allyl 2-ethyl butyrate FL/FR iso butyl methyl anthranilate FL/FR 3- mercaptohexyl acetate FL/FR musty hazelnut pyrazine FL/FR nutty 3- acetyl pyridine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 3,6- cocoa pyrazine FL/FR filbert heptenone FL/FR filbert heptenone B FL/FR (-)-(E,R)- filbertone FL/FR (+)-(E,S)- filbertone FL/FR european hazelnut absolute FL/FR roasted hazelnut infusions FL/FR european hazelnut oil CO2 extract FL/FR 5- methyl quinoxaline FL/FR 2,4,5- trimethyl oxazole FL/FR popcorn 2- acetyl pyrazine FL/FR roasted trigonella foenum-graecum seed oil CO2 extract FL/FR tobacco methyl benzoxole FL/FR For Flavor No flavor group found for these iso butyl methyl anthranilate FL/FR alliaceous alliaceous 3- mercapto-2-pentanone FL astringent 2- methyl pyridine FL bready mango furanone FL burnt 2- methyl quinoxaline FL 2,4,5- trimethyl oxazole FL/FR caramellic toasted maple nut flavor FL chocolate chocolate hazelnut flavor FL cocoa chocolate enhancers FL coffee coffea arabica seed extract FL/FR ethereal allyl 2-ethyl butyrate FL/FR green 2,5- dimethyl-4-ethyl oxazole FL 3- methyl pyridine FL 1-(5- methyl-2-furyl) propan-1-one FL meaty roast chicken flavor FL 2- mercaptomethyl pyrazine FL roasted pork flavor FL 2- pyridinyl methane thiol FL roast turkey flavor FL musty hazelnut pyrazine FL/FR nutty 2- acetyl furan FL/FR 3- acetyl pyridine FL/FR 3- acetyl-2,5-dimethyl thiophene FL 2- acetyl-3,5-dimethyl pyrazine FL/FR toasted almond flavor FL almond hazelnut flavor FL arachis hypogaea fruit extract FL 2- butyl-2-butenal FL roasted chestnut flavor FL toasted chestnut flavor FL 3,6- cocoa pyrazine FL/FR 2,5- diethyl pyrazine FL 2,5- diethyl-3-methyl pyrazine FL 2- ethyl-6-methyl pyrazine FL filbert flavor FL filbert heptenone FL/FR filbert heptenone B FL/FR (-)-(E,R)- filbertone FL/FR (+)-(E,S)- filbertone FL/FR european hazelnut absolute FL/FR european hazelnut distillates FL hazelnut flavor FL roasted hazelnut infusions FL/FR european hazelnut oil CO2 extract FL/FR european hazelnut oleoresin FL hazelnut paste FL methyl benzoxole FL/FR 5- methyl quinoxaline FL/FR nutty pyrazine FL/FR nutty thiazole FL sesame distillates FL roasted sesame seed oil FL roasted 2- acetyl pyrazine FL/FR 3,5- diisobutyl-1,2,4-trithiolane FL ethyl 3-(furfuryl thio) propionate FL trigonella foenum-graecum seed oil CO2 extract FL/FR spicy chocolate cinnamon hazelnut flavor FL cinnamon hazelnut cappuccino flavor FL cinnamon hazelnut cream flavor FL cinnamon hazelnut flavor FL sulfurous roasted butanol FL tropical 3- mercaptohexyl acetate FL/FR vanilla vanilla hazelnut flavor FL   Potential Uses: None Found   Occurrence (nature, food, other):note   hazelnut Search Trop Picture   Synonyms: 4- heptanone, 2-mercapto-5-methyl- (±)-2- mercapto-5-methyl heptan-4-one (±)-5- methyl-2-sulfanyl heptan-4-one 5- methyl-2-sulfanyl-4-heptanone (±)-5- methyl-2-sulfanylheptan-4-one   Articles:   None found yet. Try the PubMed Search.

Notes: None found