Articles:
| None found yet. Try the PubMed Search. |
4-heptanone, 2-mercapto-5-methyl-
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):
-
| CAS Number: | 1416051-88-1 |  3D/inchi
|
| FDA UNII: | ION6Z9RT3U | |
| Beilstein Number: | 26910448 | |
| XlogP3-AA: | 2.00 (est) | |
| Molecular Weight: | 160.27972000 | |
| Formula: | C8 H16 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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FEMA Number: | 4779 (±)-2-mercapto-5-methylheptan-4-one |
| 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 |
| Soluble in: | |
| water, 1292 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: tropical | |
| gassy tropical grapefruit grape | |
| Odor Description: at 0.01 % in ethyl alcohol. | gassy, tropical, grapefruit, muscat grape, grapes on the vine |
| Flavor Type: earthy | |
| mushroom meaty roasted nutty toasted hazelnut | |
| Taste Description: at 20.00 ppb in water. | mushroom, meaty, roasted, nutty, toasted, and hazelnut |
| 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 (±)-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 | |
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 : | 86723329 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 5-methyl-2-sulfanyl-4-heptanone | |
| Chemidplus: | 1416051881 |
References:
| 5-methyl-2-sulfanyl-4-heptanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 86723329 |
| Pubchem (cas): | 1416051-88-1 |
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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| hazelnut Search Trop Picture |
Synonyms:
| 4- | heptanone, 2-mercapto-5-methyl- |
| (±)-2- | mercapto-5-methyl heptan-4-one |
| (±)-5- | methyl-2-sulfanyl heptan-4-one |
| 5- | methyl-2-sulfanyl-4-heptanone |
| (±)-5- | methyl-2-sulfanylheptan-4-one |