| Trivial Name | 1-(3-(methyl thio)-butyryl)-2,6,6-trimethyl cyclohexene |
| Short Description | 1-(3-(methylthio)-butyryl)-2,6,6-trimethylcyclohexene |
| Formula | C14 H24 O S |
| CAS Number | 68697-67-6 |
| FEMA Number | 4569 |
| FDA UNII | 2TCW7MIT5C |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1942 1-(3-(methylthio)-butyryl)-2,6,6-trimethylcyclohexene |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 68697-67-6 ; 1-(3-(METHYLTHIO)-BUTYRYL)-2,6,6-TRIMETHYLCYCLOHEXENE |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 1-(3-(Methylthio)-butyryl)-2,6,6-trimethylcyclohexene |
| Parchem |
| Material listed in food chemical codex | No |
| Molecular weight | 240.40948486328 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.272 to 8.297 |
| Refractive Index | 1.505 to 1.511 @ 20 °C |
| Boiling Point | 332 to 334°C @ 760 mm Hg |
| Vapor Pressure | 0.000137 mmHg @ 25 °C |
| Flash Point TCC Value | 155 °C TCC |
| logP (o/w) | 4.52 est |
| Solubility | |
| alcohol | Yes |
| water, 2.847 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Fruity | |
| sweet, fruity, tobacco | |
| General comment | Sweet fruity tobacco |
| 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 1-(3-(methyl thio)-butyryl)-2,6,6-trimethyl cyclohexene 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.00100 | 0.01000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | 0.00500 | 0.01000 | |
| gelatins / puddings: | 0.00100 | 0.00500 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 :20332432 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-(methylsulfanyl)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone |
| Chemidplus:0068697676 |