| Preferred name | (±)-2-mercapto-5-methylheptan-4-one |
| Trivial Name | 5-methyl-2-sulfanyl-4-heptanone |
| Short Description | 4-heptanone, 2-mercapto-5-methyl- |
| Formula | C8 H16 O S |
| CAS Number | 1416051-88-1 |
| FEMA Number | 4779 |
| FDA UNII | ION6Z9RT3U |
| Beilstein Number | 26910448 |
| xLogP3-AA | 2.00 (est) |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| Synonyms |
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| 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 |
| (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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Material listed in food chemical codex | No |
| Molecular weight | 160.27972412109 |
| Solubility | |
| water, 1292 mg/L @ 25 °C (est) | Yes |
| Odor Type: Tropical | |
| gassy, tropical, grapefruit, grape | |
| General comment | At 0.01 % in ethyl alcohol. gassy, tropical, grapefruit, muscat grape, grapes on the vine |
| Flavor Type: Earthy | |
| mushroom, meaty, roasted, nutty, toasted, hazelnut | |
| General comment | At 20.00 ppb in water. mushroom, meaty, roasted, nutty, toasted, and hazelnut |
| (data available) |
| 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 (±)-2-mercapto-5-methylheptan-4-one 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: 27 | |||
| Click here to view publication 27 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.03000 | 0.10000 | |
| beverages(nonalcoholic): | 0.01000 | 0.10000 | |
| beverages(alcoholic): | 0.02000 | 0.10000 | |
| breakfast cereal: | 0.03000 | 0.10000 | |
| cheese: | - | - | |
| chewing gum: | 0.10000 | 0.20000 | |
| condiments / relishes: | 0.01000 | 0.10000 | |
| confectionery froastings: | 0.05000 | 0.10000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.05000 | 0.10000 | |
| fruit ices: | 0.00500 | 0.05000 | |
| gelatins / puddings: | 0.03000 | 0.10000 | |
| granulated sugar: | - | - | |
| gravies: | 0.01000 | 0.10000 | |
| hard candy: | 0.10000 | 0.20000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.02000 | 0.10000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.00500 | 0.20000 | |
| snack foods: | 0.01000 | 0.10000 | |
| soft candy: | 0.05000 | 0.10000 | |
| soups: | 0.03000 | 0.10000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.03000 | 0.10000 | |
| 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 :86723329 |
| National Institute of Allergy and Infectious Diseases:Data |
| 5-methyl-2-sulfanyl-4-heptanone |
| Chemidplus:1416051881 |