Articles:
| US Patents: | 8,765,204 - Carbonothioates as flavours and fragrances |
O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate
Notes:
None found
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 1241905-19-0 |  3D/inchi
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| Molecular Weight: | 220.33200000 | |
| Formula: | C10 H20 O3 S | |
| NMR Predictor: | Predict (works with chrome 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 |
| PubMed: | Search |
| NCBI: | Search |
| FEMA Number: | 4730 O-ethyl S-1-methoxyhexan-3-yl carbonothioate |
| 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: | 280.00 to 281.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 244.00 °F. TCC ( 117.80 °C. ) (est) |
| logP (o/w): | 2.690 (est) |
| Soluble in: | |
| alcohol | |
| water, 131 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| sulfurous mushroom herbal chocolate currant bud black currant bud | |
| Odor Description: 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 | |
| Taste Description: | sulfury blackcurrant tropical roasted coffee |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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 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 | |
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| 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 |
References:
| O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cas): | 1241905-19-0 |
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): | Search |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| anisic | ||
| methyl para-anisate | FL/FR | |
| earthy | ||
| 3- | octanol | FL/FR |
| 1- | octen-3-one | FL/FR |
| floral | ||
| octyl acetate | FL/FR | |
| phenethyl formate | FL/FR | |
| fruity | ||
| tropical thiazole | FL/FR | |
| barosma betulina leaf oil | FL/FR | |
| O- | methyl S-1-methoxyhexan-3-yl carbonothioate | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| methionyl acetate | FL | |
| methyl para-anisate | FL/FR | |
| alliaceous | ||
| tropical thiazole | FL/FR | |
| creamy | ||
| acetyl ethyl carbinol | FL | |
| earthy | ||
| 1- | octen-3-one | FL/FR |
| green | ||
| phenethyl formate | FL/FR | |
| herbal | ||
| barosma betulina leaf oil | FL/FR | |
| musty | ||
| 3- | octanol | FL/FR |
| roasted | ||
| O- | methyl S-1-methoxyhexan-3-yl carbonothioate | FL/FR |
| waxy | ||
| octyl acetate | FL/FR | |
Potential Uses:
| coffee | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| carbonothioic acid S-[1-(2-methoxyethyl)butyl] O-ethyl ester | |
| ethyl 1-(2-methoxyethyl)butylsulfanylformate | |
| O- | ethyl S-(1-methoxyhexan-3-yl) carbonothioate |
| O- | ethyl 1-(2-methoxyethyl)butylsulfanylformate |