3-mercapto-3-methyl butyl isovalerate
(3-methyl-3-sulfanylbutyl) 3-methylbutanoate

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  Product(s):
  612071-27-9 3-Mercaptomethylbutyl isovalerate

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CAS Number: 612071-27-9 3D/inchi FDA UNII: HJX835LB3C XlogP3-AA: 2.60 (est) Molecular Weight: 204.33280000 Formula: C10 H20 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: 1927 3-mercapto-3-methylbutyl isovalerate FEMA Number: 4584 3-mercapto-3-methylbutyl isovalerate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 612071-27-9 ; 3-MERCAPTO-3-METHYLBUTYL ISOVALERATE   Physical Properties: Appearance: colorless to yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.94900 to 0.95900 @ 20.00 °C. Pounds per Gallon - (est).: 7.906 to 7.989 Refractive Index: 1.45000 to 1.46000 @ 20.00 °C. Boiling Point: 70.00 °C. @ 11.00 mm Hg Flash Point: 258.00 °F. TCC ( 125.50 °C. ) (est) logP (o/w): 3.240 (est) Soluble in:   alcohol   water, 37.16 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Description:fruity sulfurous Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. 3-MERCAPTO-3METHYLBUTYL ISOVALERATE BOC Sciences For experimental / research use only. 3-Mercaptomethylbutyl isovalerate Parchem 3-mercapto-3-methyl butyl isovalerate 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 3-mercapto-3-methyl butyl isovalerate 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: 0.10000 5.00000 beverages(nonalcoholic): 0.00001 5.00000 beverages(alcoholic): - - breakfast cereal: 0.02000 5.00000 cheese: - - chewing gum: - - condiments / relishes: 0.00010 0.10000 confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: 0.10000 5.00000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 0.10000 5.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: 0.10000 5.00000 nut products: 0.00010 0.00100 other grains: 0.00010 0.00100 poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: 0.10000 5.00000 sugar substitutes: - - sweet sauces: 0.10000 5.00000   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 :53425775 National Institute of Allergy and Infectious Diseases:Data (3-methyl-3-sulfanylbutyl) 3-methylbutanoate Chemidplus:0612071279   References:   (3-methyl-3-sulfanylbutyl) 3-methylbutanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 53425775 Pubchem (sid): 125694180   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: 3-Mercapto-3-methylbutyl isovalerate   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms:   butanoic acid, 3-methyl-, 3-mercapto-3-methylbutyl ester 3- mercapto-3-methylbutyl isovalerate 3- mercapto-3methylbutyl isovalerate 3- methyl butanoic acid 3-mercapto-3-methyl butyl ester 3- methyl-3-sulfanylbutyl 3-methylbutanoate (3- methyl-3-sulfanylbutyl) 3-methylbutanoate 3- methylbutanoic acid 3-mercapto-3-methylbutyl ester   Articles:   None found yet. 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Notes: None found