We have found
46590
results matching your criteria.
Please wait while we search...
(E,E/E,Z)-tobacco cyclohexenone
General Material Information
| Preferred name | (E,E/E,Z)-tobacco cyclohexenone |
| Trivial Name | Megastigmatrienone |
| Short Description | tabanon (Symrise) |
| Formula | C13 H18 O |
| CAS Number | 13215-88-8 |
| FEMA Number | 4663 |
| ECHA Number | 236-187-2 |
| FDA UNII | ZY0HOK56PM |
| Nikkaji Number | J213.756I |
| xLogP3-AA | 2.60 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 2057 4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one (mixture of isomers) |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 13215-88-8 ; 4-(2-BUTENYLIDENE)-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE |
| 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 |
Literature & References
| 4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 13215-88-8 |
| Pubchem (cid): | 6437599 |
| Pubchem (sid): | 135067030 |
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 |
| YMDB (Yeast Metabolome Database): | YMDB01739 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 4-(2-Butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one (mixture of isomers) |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 190.28565979004 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.196 to 8.363 |
| Refractive Index | 1.536 to 1.556 @ 20 °C |
| Boiling Point | 288 to 289°C @ 760 mm Hg |
| Vapor Pressure | 0.002 mmHg @ 25 °C |
| Vapor Density | 6.6 |
| Flash Point TCC Value | 124.8 °C TCC |
| logP (o/w) | 3.588 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water, 12.48 mg/L @ 25 °C (est) | Yes |
| Stability | |
| AP roll-on 15% (good) | Unspecified |
| bleach (poor) | Unspecified |
| body lotion (very good) | Unspecified |
| cleaner APC liquid (good) | Unspecified |
| cleaner liquid citric acid (poor) | Unspecified |
| detergent powder conc. (very good) | Unspecified |
| shampoo/shower gel (very good) | Unspecified |
| soap (very good) | Unspecified |
Organoleptic Properties
| Odor Type: Tobacco | |
| sweet, acorn, nut skin, tobacco, spicy | |
| Odor strength | medium |
| Substantivity | > 240 hour(s) at 100.00 % |
| Luebke, William tgsc, (2009) | At 100.00 %. sweet acorn nut skin tobacco spicy |
| Flavor Type: Nutty | |
| nutty, nut skin, herbal, burnt, tobacco, spicy, fenugreek, woody | |
| Luebke, William tgsc, (2009) | Sweet nutty nut skin herbal burnt tobacco spicy fenugreek woody |
| General comment | Herbaceous, woody, slightly fruity |
Occurrences
| (data available) |
Potential Uses
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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 | |||
| Recommendation for (E,E/E,Z)-tobacco cyclohexenone usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Structure Class: | II | ||
| 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): | 1.00000 | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 1.00000 | 5.00000 | |
| 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 :6437599 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one |
| Chemidplus:0013215888 |