Articles:
| None found yet. Try the PubMed Search. |
1-(3-(methylthio)-butyryl)-2,6,6-trimethylcyclohexene
Notes:
None found
-
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: | 68697-67-6 |  3D/inchi
|
| FDA UNII: | 2TCW7MIT5C | |
| Molecular Weight: | 240.40948000 | |
| Formula: | C14 H24 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: | 1942 1-(3-(methylthio)-butyryl)-2,6,6-trimethylcyclohexene |
| FEMA Number: | 4569 1-(3-(methylthio)-butyryl)-2,6,6-trimethylcyclohexene |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 68697-67-6 ; 1-(3-(METHYLTHIO)-BUTYRYL)-2,6,6-TRIMETHYLCYCLOHEXENE |
Physical Properties:
| Appearance: | colorless to yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99300 to 0.99600 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.272 to 8.297 |
| Refractive Index: | 1.50500 to 1.51100 @ 20.00 °C. |
| Boiling Point: | 332.00 to 334.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 112.00 °C. @ 2.00 mm Hg |
| Vapor Pressure: | 0.000137 mmHg @ 25.00 °C. (est) |
| Flash Point: | 311.00 °F. TCC ( 155.00 °C. ) |
| logP (o/w): | 4.520 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.847 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| sweet fruity tobacco | |
| Odor Description: | sweet fruity tobacco |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| 1-(3-(methyl thio)-butyryl)-2,6,6-trimethyl cyclohexene |
| 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-(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: | - | - | |
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 : | 20332432 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3-(methylsulfanyl)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone | |
| Chemidplus: | 0068697676 |
References:
| 3-(methylsulfanyl)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 20332432 |
| Pubchem (sid): | 163640680 |
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 |
| FAO: | 1-(3-(Methylthio)-butyryl)-2,6,6-trimethylcyclohexene |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 3-( | methyl thio)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone |
| 1-(3-( | methyl thio)butyryl)-2,6,6-trimethyl cyclohexene |
| 3-( | methylthio)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone |
| (+/-)-1-(3-( | methylthio)-butyryl)-2,6,6-trimethylcyclohexene |
| 1-(3-( | methylthio)-butyryl)-2,6,6-trimethylcyclohexene |
| 1-(3-( | methylthio)-butyryl)-2,6,6-trimethylcyclohexene, (+/-) |
| 1-(3-( | methylthio)butyryl)-2,6,6-trimethylcyclohexene |