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buchu mercaptan acetate
General Material Information
| Preferred name | buchu mercaptan acetate |
| Trivial Name | S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate |
| Short Description | menthone thioacetate |
| Formula | C12 H20 O2 S |
| CAS Number | 94293-57-9 |
| FEMA Number | 3809 |
| Flavis Number | 12.201 |
| ECHA Number | 304-949-4 |
| FDA UNII | 6769OB3Z4X |
| xLogP3-AA | 2.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 506 menthone-8-thioacetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 94293-57-9 ; MENTHONE-8-THIOACETATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Menthone-8-thioacetate |
Suppliers
| BOC Sciences | LBB Specialties |
| Endeavour Specialty Chemicals | Penta International |
| R C Treatt & Co Ltd | Robinson Brothers |
| Synerzine | Penta International Corporation |
| Taytonn ASCC |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 228.35479736328 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.689 to 8.772 |
| Refractive Index | 1.497 to 1.506 @ 20 °C |
| Boiling Point | 305 to 306°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 138.33 °C TCC |
| logP (o/w) | 2.461 est |
| Solubility | |
| alcohol | Yes |
| water, 392.2 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| currant bud black currant bud, catty, fruity, herbal | |
| General comment | At 0.10 % in dipropylene glycol. black currant catty fruity herbal |
| Flavor Type: Fruity | |
| fruity, herbal, tropical | |
| General comment | Fruity herbal tropical |
| Used in blackcurrant, grape, and berry flavours; in desserts at up to 6ppm, bakery and soft confections at 1-2ppm, and in beverages at 0.2ppm to 0.4ppm | Buchu |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Berry , Fruit , Grape |
| Flavoring purposes | Bakery , Currant black currant , Fruit tropical fruit |
| Other purposes | Confection |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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 | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 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 ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :175606 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate |
| Chemidplus:0094293579 |