4-mercapto-4-methyl-2-hexanone
4-methyl-4-sulfanylhexan-2-one

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CAS Number: 851768-52-0 3D/inchi FDA UNII: 78S0ASX1LS XlogP3-AA: 1.30 (est) Molecular Weight: 146.25278000 Formula: C7 H14 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 Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search JECFA Food Flavoring: 1926 4-mercapto-4-methyl-2-hexanone FEMA Number: 4583 4-mercapto-4-methyl-2-hexanone FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 851768-52-0 ; 4-MERCAPTO-4-METHYL-2-HEXANONE   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.96200 to 0.96800 @ 20.00 °C. Pounds per Gallon - (est).: 8.014 to 8.064 Refractive Index: 1.46600 to 1.47200 @ 20.00 °C. Boiling Point: 198.00 to 199.00 °C. @ 760.00 mm Hg Boiling Point: 80.00 to 86.00 °C. @ 22.00 mm Hg Vapor Pressure: 0.353000 mmHg @ 25.00 °C. (est) Flash Point: 165.00 °F. TCC ( 73.89 °C. ) logP (o/w): 1.764 (est) Soluble in:   alcohol   water, 3651 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Description:floral fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Parchem 4-mercapto-4-methyl-2-hexanone 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 4-mercapto-4-methyl-2-hexanone 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: - - 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: - - hard candy: - - imitation dairy: - - instant coffee / tea: 0.00100 0.00500 jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - 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 :11263567 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 4-methyl-4-sulfanylhexan-2-one Chemidplus:0851768520   References:   4-methyl-4-sulfanylhexan-2-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 11263567 Pubchem (sid): 42343065   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): Search ChemSpider: View FAO: 4-Mercapto-4-methyl-2-hexanone   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: 2- hexanone, 4-mercapto-4-methyl- 4- mercapto-4-methylhexan-2-one 4- methyl-4-sulfanyl hexan-2-one 4- methyl-4-sulfanylhexan-2-one   Articles:   None found yet. Try the PubMed Search.

Notes: None found