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5-mercapto-5-methyl-3-hexanone
General Material Information
| Preferred name | 5-mercapto-5-methyl-3-hexanone |
| Trivial Name | 5-Mercapto-5-methyl-3-hexanone |
| Short Description | sauvignone 100 (Takasago) |
| Formula | C7 H14 O S |
| CAS Number | 851768-51-9 |
| FEMA Number | 4769 |
| FDA UNII | O8EKS05EQV |
| xLogP3-AA | 1.30 (est) |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| 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 |
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 |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 146.25277709961 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.428 to 9.511 |
| Refractive Index | 1.439 to 1.445 @ 20 °C |
| Vapor Pressure | 0.353 mmHg @ 25 °C |
| Flash Point TCC Value | 74 °C TCC |
| logP (o/w) | 1.764 est |
| Solubility | |
| alcohol | Yes |
| water, 3651 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, currant bud black currant bud, fruit tropical fruit, peach, apricot, plum, guava, citrus | |
| Odor strength | high , recommend smelling in a 0.10 % solution or less |
| Substantivity | 22 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 100.00 ppm in triethyl citrate. sulfurous black currant bud tropical fruit peach apricot plum guava citrus |
| Flavor Type: Sulfurous | |
| sulfurous, green, tropical, currant bud black currant bud, peach, apricot, passion fruit, melon rind | |
| Luebke, William tgsc, (2021) | Sulfurous green tropical black currant bud peach apricot passion fruit melon rind |
Safety Information
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: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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: | 2.50000 | 5.00000 | |
| beverages(nonalcoholic): | 0.10000 | 0.50000 | |
| beverages(alcoholic): | 0.30000 | 2.50000 | |
| breakfast cereal: | 0.10000 | 0.30000 | |
| cheese: | 0.30000 | 0.50000 | |
| chewing gum: | 5.00000 | 10.00000 | |
| condiments / relishes: | 0.30000 | 0.50000 | |
| confectionery froastings: | 0.30000 | 2.50000 | |
| egg products: | 0.30000 | 0.50000 | |
| fats / oils: | - | - | |
| fish products: | 0.30000 | 0.50000 | |
| frozen dairy: | 1.00000 | 10.00000 | |
| fruit ices: | 0.50000 | 5.00000 | |
| gelatins / puddings: | 0.30000 | 2.50000 | |
| granulated sugar: | - | - | |
| gravies: | 0.10000 | 1.00000 | |
| hard candy: | 0.50000 | 2.50000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.10000 | 1.00000 | |
| jams / jellies: | 0.50000 | 2.50000 | |
| meat products: | 0.30000 | 0.50000 | |
| milk products: | 0.10000 | 0.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 0.30000 | 0.50000 | |
| processed fruits: | - | - | |
| processed vegetables: | 0.30000 | 0.50000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.30000 | 0.50000 | |
| snack foods: | 0.30000 | 0.50000 | |
| soft candy: | 0.50000 | 2.50000 | |
| soups: | 0.30000 | 0.50000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.30000 | 0.50000 | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):851768-51-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11332546 |
| National Institute of Allergy and Infectious Diseases:Data |
| 5-methyl-5-sulfanylhexan-3-one |
| Chemidplus:0851768519 |