Articles:
| Leffingwell & Associates: | Flavor Properties of FEMA GRAS List 25 flavor chemicals |
1-(methylthio)-3-octanone
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: | 61837-77-2 |  3D/inchi
|
| FDA UNII: | 1Q30MEB85I | |
| Nikkaji Web: | J740.289I | |
| XlogP3-AA: | 2.40 (est) | |
| Molecular Weight: | 174.30666000 | |
| Formula: | C9 H18 O 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: | 2086 1-(methylthio)-3-octanone |
| FEMA Number: | 4707 1-(methylthio)-3-octanone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 61837-77-2 ; 1-(METHYLTHIO)-3-OCTANONE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 254.00 to 255.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.017000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 224.00 °F. TCC ( 106.67 °C. ) |
| logP (o/w): | 2.684 (est) |
| Soluble in: | |
| alcohol | |
| water, 628.2 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| Odor Description: | meaty dairy |
| Flavor Type: fatty | |
| fatty citrus tomato vegetable peely cheesy bleu cheese cheesy | |
| Taste Description: at 5.00 ppm in water. | fatty citrus tomato vine vegetable peely blue cheese |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| 1-methyl thio-3-octanone |
| 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 1-methyl thio-3-octanone 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: 25 | |||
| Click here to view publication 25 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.10000 | 5.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | 0.10000 | 5.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.10000 | 5.00000 | |
| confectionery froastings: | - | - | |
| egg products: | 0.10000 | 5.00000 | |
| fats / oils: | 0.10000 | 5.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.10000 | 5.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.10000 | 5.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 0.10000 | 5.00000 | |
| processed fruits: | - | - | |
| processed vegetables: | 0.10000 | 5.00000 | |
| reconstituted vegetables: | 0.10000 | 5.00000 | |
| seasonings / flavors: | 0.10000 | 5.00000 | |
| snack foods: | 0.10000 | 5.00000 | |
| soft candy: | - | - | |
| soups: | 0.10000 | 5.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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 : | 528762 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-methylsulfanyloctan-3-one | |
| Chemidplus: | 0061837772 |
References:
| 1-methylsulfanyloctan-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 528762 |
| Pubchem (sid): | 10549379 |
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 |
Potential Blenders and core components note
| For Odor | ||
| aldehydic | ||
| aldehydic | ||
| decanal (aldehyde C-10) | FL/FR | |
| 2- | tridecenal | FL/FR |
| citrus | ||
| (E)-4- | decenal | FL/FR |
| creamy | ||
| 3- | heptyl dihydro-5-methyl-2(3H)-furanone | FL/FR |
| fatty | ||
| 2- | decen-1-ol | FL/FR |
| 2- | nonenal | FL/FR |
| fruity | ||
| decyl butyrate | FL/FR | |
| green | ||
| 2-iso | butyl thiazole | FL/FR |
| vegetable | ||
| methional | FL/FR | |
| For Flavor | ||
| aldehydic | ||
| 2- | tridecenal | FL/FR |
| citrus | ||
| butter lemon orange flavor | FL | |
| fatty | ||
| 2- | nonenal | FL/FR |
| fermented | ||
| methyl thio isovalerate | FL | |
| fruity | ||
| decyl butyrate | FL/FR | |
| 3- | heptyl dihydro-5-methyl-2(3H)-furanone | FL/FR |
| green | ||
| 2-iso | butyl thiazole | FL/FR |
| 2,4- | octadienal | FL |
| (E,E)-2,4- | octadienal | FL |
| ripe | ||
| (E)-4- | decenal | FL/FR |
| tomato | ||
| methional | FL/FR | |
| vegetable | ||
| potato butyraldehyde | FL | |
| waxy | ||
| decanal (aldehyde C-10) | FL/FR | |
| 2- | decen-1-ol | FL/FR |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| tomato Search Trop Picture |
Synonyms:
| 1- | methyl sulfanyl octan-3-one |
| 1-( | methyl thio) octan-3-one |
| 1-( | methyl thio)-3-octanone |
| 1-( | methylsulfanyl)octan-3-one |
| 1- | methylsulfanyloctan-3-one |
| 1- | methylthio-3-octanone |
| 1-( | methylthio)-3-octanone |
| 1-( | methylthio)octan-3-one |
| 3- | octanone, 1-(methylthio)- |