| Trivial Name | O-ethyl S-1-methoxyhexan-3-yl carbonothioate |
| Short Description | O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate |
| Formula | C10 H20 O3 S |
| CAS Number | 1241905-19-0 |
| FEMA Number | 4730 |
| FDA UNII | Search |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| Synonyms |
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| Perfumer & Flavorists | Start search |
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| NCBI | Start search |
| O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cas): | 1241905-19-0 |
| Publications by US Patents | |
| 8,765,204 - Carbonothioates as flavours and fragrances | |
| (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 |
| ChemSpider: | View |
| Material listed in food chemical codex | No |
| Molecular weight | 220.33200073242 |
| Boiling Point | 280 to 281°C @ 760 mm Hg |
| Vapor Pressure | 0.004 mmHg @ 25 °C |
| Flash Point TCC Value | 117.8 °C TCC |
| logP (o/w) | 2.69 est |
| Solubility | |
| alcohol | Yes |
| water, 131 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Sulfurous | |
| sulfurous, mushroom, herbal, chocolate, currant bud black currant bud | |
| General comment | At 0.10 % in propylene glycol. sulfurous mushroom herbal chocolate black currant bud |
| Flavor Type: Sulfurous | |
| sulfurous, currant bud black currant bud, tropical, coffee roasted coffee, coffee | |
| General comment | Sulfury blackcurrant tropical roasted coffee |
| Applications | |
| Odor purposes | Coffee |
| 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 | |
| Category: | |||
| flavoring agents | |||
| Recommendation for O-ethyl S-1-methoxyhexan-3-yl carbonothioate 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: 26 | |||
| Click here to view publication 26 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 0.25000 | 0.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.40000 | 0.80000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.25000 | 1.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.50000 | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.25000 | 5.00000 | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 0.40000 | 0.80000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 2.00000 | 25.00000 | |
| snack foods: | - | - | |
| soft candy: | 0.50000 | 1.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.25000 | 0.50000 | |
| EPI System: View |
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| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| National Institute of Allergy and Infectious Diseases:Data |
| O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate |