trans-buchu mercaptan acetate
(1R,4R)-menthone-8-thioacetate

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  57074-34-7 S-[2-(4-methyl-2-oxocyclohexyl)propan-2-yl] ethanethioate

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Name: S-[2-[(1R,4R)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate CAS Number: 57074-34-7 3D/inchi ECHA EINECS - REACH Pre-Reg: 260-546-2 FDA UNII: 1HQV1B71RE Nikkaji Web: J326.465C XlogP3-AA: 2.50 (est) Molecular Weight: 228.35480000 Formula: C12 H20 O2 S NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavor and fragrance 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 FEMA Number: 3809 (1R,4R)-menthone-8-thioacetate 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 Boiling Point: 318.00 to 320.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.000317 mmHg @ 25.00 °C. (est) Flash Point: 261.00 °F. TCC ( 127.22 °C. ) logP (o/w): 2.571 (est) Soluble in:   alcohol   water, 392.2 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Description:herbal Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: BOC Sciences For experimental / research use only. S-[2-(4-methyl-2-oxocyclohexyl)propan-2-yl] ethanethioate Parchem S-menthone-8-thioacetate 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: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice Recommendation for trans-buchu mercaptan acetate usage levels up to:   0.5000 % in the fragrance concentrate.   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: 17 Click here to view publication 17   average usual ppm average maximum ppm baked goods: 1.00000 10.00000 beverages(nonalcoholic): 0.10000 0.30000 beverages(alcoholic): 0.20000 5.00000 breakfast cereal: 0.50000 5.00000 cheese: 0.50000 5.00000 chewing gum: 5.00000 20.00000 condiments / relishes: - - confectionery froastings: 1.00000 10.00000 egg products: - - fats / oils: 3.00000 40.00000 fish products: - - frozen dairy: 0.20000 10.00000 fruit ices: 0.20000 10.00000 gelatins / puddings: 0.50000 5.00000 granulated sugar: - - gravies: - - hard candy: 1.00000 10.00000 imitation dairy: 0.20000 10.00000 instant coffee / tea: - - jams / jellies: 0.50000 10.00000 meat products: - - milk products: 0.20000 10.00000 nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: 0.10000 2.00000 reconstituted vegetables: 0.10000 2.00000 seasonings / flavors: - - snack foods: - - soft candy: 1.00000 10.00000 soups: - - sugar substitutes: - - sweet sauces: 0.20000 5.00000   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):57074-34-7 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :92649 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 S-[2-[(1R,4R)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate Chemidplus:0057074347   References:   S-[2-[(1R,4R)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 57074-34-7 Pubchem (cid): 92649 Pubchem (sid): 135049648   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): HMDB37386 FooDB: FDB016428 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   buchu leaf oil Search Trop Picture   Synonyms: (1R,4R)- buchu mercaptan acetate (E)- buchu mercaptan acetate   ethane thioic acid S-(1-methyl-1-((1R,4R)-4-methyl-2-oxocyclohexyl)ethyl) ester (1theta-trans)- ethane thioic acid S-(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ester (1R,4R)- menthone-8-thioacetate   menthone-8-thioacetate, (1R,4R)- S-(1- methyl-1-(4-methyl-2-oxocyclohexyl) ethyl)-(1R-trans) ethanethioate S-[2-[(1R,4R)-4- methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate   Articles:   None found yet. Try the PubMed Search.

Notes: Present in Buchu leaf oil. Flavouring ingredient