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(E)-beta-ionone
General Material Information
| Preferred name | (E)-beta-ionone |
| Trivial Name | β-Ionone |
| Short Description | (E)-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one |
| Formula | C13 H20 O |
| CAS Number | 79-77-6 |
| Deleted CAS Number | 1353674-22-2 |
| FEMA Number | 2595 |
| ECHA Number | 201-224-3 |
| FDA UNII | A7NRR1HLH6 |
| Beilstein Number | 1909544 |
| MDL | MFCD00001549 |
| COE Number | 142 |
| xLogP3-AA | 3.30 (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 |
Literature & References
| (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 79-77-6 |
| Pubchem (cid): | 6433147 |
| Pubchem (sid): | 134971684 |
| Flavornet: | 79-77-6 |
| Pherobase: | View |
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 |
| KEGG (GenomeNet): | C12287 |
| HMDB (The Human Metabolome Database): | HMDB36565 |
| YMDB (Yeast Metabolome Database): | YMDB01643 |
| Export Tariff Code: | 2914.23.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 192.30160522461 |
| Boiling Point | 266 to 269°C @ 760 mm Hg |
| Vapor Pressure | 0.004 mmHg @ 25 °C |
| Flash Point TCC Value | 111.67 °C TCC |
| logP (o/w) | 3.71 est |
| Solubility | |
| alcohol | Yes |
| water, 25.16 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| dry, powdery, floral, woody, orris, berry, seedy, sweet, fruity | |
| Odor strength | medium |
| Substantivity | > 48 hour(s) at 100.00 % |
| Luebke, William tgsc, (1998) | At 10.00 % in dipropylene glycol. dry powdery floral woody orris berry seedy |
| Mosciano, Gerard P&F 16, No. 4, 45, (1991) | Sweet, fruity, woody, berry-like with floral and seedy nuances |
| Flavor Type: Woody | |
| woody, floral, waxy, berry, fruity, powdery | |
| Luebke, William tgsc, (1998) | Woody floral waxy berry fruity powdery |
| Mosciano, Gerard P&F 16, No. 4, 45, (1991) | At 20.00 ppm. Woody, floral, berry, fruity with powdery nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Amber , Cherry , Floral , Grape , Lily of the valley , Orris , Pineapple , Plum , Powder , Raspberry , Violet , Woody |
| Cosmetic purposes | Astringents , Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
| R 36 - Irritating to eyes. R 43 - May cause sensitisation by skin contact. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 36/37 - Wear suitable protective clothing and gloves. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| 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 | |||
| IFRA Critical Effect: | |||
| Sensitization | |||
| IFRA Other Specification: | |||
| maximum skin levels for fine fragrances: | |||
| 1.4600 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).(IFRA, 2001) | |||
| Recommendation for (E)-beta-ionone usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 3.1100 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.08 mg/kg/day (IFRA, 2001) | |||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 5.20000 | |
| beverages(nonalcoholic): | - | 1.60000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 89.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.40000 | |
| fruit ices: | - | 3.40000 | |
| gelatins / puddings: | - | 5.80000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 7.60000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 10.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | 10.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):79-77-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6433147 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3082 |
| WGK Germany:2 |
| (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one |
| Chemidplus:0000079776 |
| RTECS:EN0500000 for cas# 79-77-6 |