| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 79-77-6 |
| ECHA EC Number: | 201-224-3 |
| FDA UNII: | A7NRR1HLH6 |
| CoE Number: | 142 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | (E)-beta-ionone |
| InChI : | InChI=1/C13H20O/c1-10-6-5-7-12(13(10,3)4)9-8-11(2)14/h7-10H,5-6H2,1-4H3/b9-8+/t10-/m1/s1 |
| Std.InChI: | InChI=1S/C13H20O/c1-10-6-5-7-12(13(10,3)4)9-8-11(2)14/h7-10H,5-6H2,1-4H3/b9-8+/t10-/m1/s1 |
| InChIKey : | LGNGQZVFJGUASS-AAXQSMANBM |
| Std.InChIKey: | LGNGQZVFJGUASS-AAXQSMANSA-N |
| SMILES : | C[C@@H]1CCC=C(C1(C)C)/C=C/C(=O)C |
| MDL: | MFCD00001549 |
| Molar Refractivity : | 61.70 ± 0.3 cm3 (est) |
| Parachor : | 492.0 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.511 ± 0.02 (est) |
| Surface Tension : | 32.7 ± 3.0 dyne/cm (est) |
| Density : | 0.935 ± 0.06 g/cm3 (est) |
| Polarizability : | 24.46 ± 0.5 10-24cm3 (est) |
| 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 |
| FEMA Number: | 2595 (E)-beta-ionone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | Yes |
| Boiling Point: | 266.00 to 269.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 233.00 °F. TCC ( 111.67 °C. ) |
| logP (o/w): | 3.710 (est) |
| Soluble in: | |
| alcohol | |
| water, 25.16 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | astringents perfuming agents |
| BASF |
| beta-ionone R Odor: Woody, dry, floral, fruity Flavor: Woody, fruity, floral, dry |
| ExtraSynthese |
| For experimental / research use only. |
| beta-Ionone |
| H. Interdonati, Inc. |
| beta-ionone Natural, Kosher |
| Featured Products |
| Indukern F&F |
| IONONE BETA NATURAL Odor: FLORAL, VIOLET, FRUITY, WOODY |
| Indukern F&F |
| IONONE BETA Odor: FLORAL, VIOLET, FRUITY, WOODY |
| Jiangyin Healthway |
| β-Ionone |
| New functional food ingredients |
| M&U International |
| NAT.BETA-IONONE, Kosher |
| Moellhausen |
| beta-IONONE Odor: floreal, woody, in dilution violet, orris note Flavor: woody, berries, green |
| Naturamole |
| beta-ionone 95% natural EU |
| O'Laughlin Industries |
| BETA IONONE |
| Prodasynth |
| BETA IONONE (> 97%) Odor: WOODY,FRUITY,LESS VIOLET THAN ALPHA |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| beta-Ionone ≥95% |
| SRS Aromatics |
| BETA IONONE (FG) |
| SRS Aromatics |
| BETA IONONE (NATURAL) |
| Sunaux International |
| nat.beta-Ionone |
| 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 | |
| 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: | <= 2% Pseudoionone | ||
| 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: | - | - | |
| 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 |
| (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 |
| (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 |
| almond roasted almond Search Trop Picture | |
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| cerastium candidissimum corr. oil greece @ 11.10% Data GC Search Trop Picture | |
| champaca concrete @ 0.20% Data GC Search Trop Picture | |
| cistus oil @ 0.2% Data GC Search Trop Picture | |
| fleabane oil @ trace% Data GC Search Trop Picture | |
| grape Search Trop Picture | |
| kiwi fruit Search Trop Picture | |
| malpighia glabra l. fruit oil @ 0.80% Data GC Search Trop Picture | |
| mangrove bark red oil cuba @ 0.10% Data GC Search Trop Picture | |
| orange fruit juice Search Trop Picture | |
| papaya fruit Search Trop Picture | |
| peach fruit Search Trop Picture | |
| raspberry red raspberry fruit Search Trop Picture | |
| spearmint Search Trop Picture | |
| star fruit oil cuba @ 0.20% Data GC Search Trop Picture | |
| tea Search Trop Picture | |
| thevetia peruviana (pers.) k. schum. flower oil brazil @ 17.20% Data GC Search Trop Picture | |
| tobacco Search Trop Picture | |
| vassoura oil @ 0.07% Data GC Search Trop Picture |
| nat.beta- | ionone |
| trans-beta- | ionone |
| trans- | ionone beta |
| trans- | ionone beta natural |
| beta- | ionone R |
| (3E)-4-(2,6,6- | trimethyl-1-cyclohexen-1-yl)-3-buten-2-one |
| (E)-4-(2,6,6- | trimethyl-1-cyclohexen-1-yl)-3-buten-2-one |
| trans-4-(2,6,6- | trimethyl-1-cyclohexen-1-yl)-3-buten-2-one |
| trans-4- | trimethyl-1-cyclohexenyl-3-buten-2-one |
| (E)-4-(2,6,6- | trimethylcyclohexen-1-yl)but-3-en-2-one |
| (E)-4-[(5R)-5,6,6- | trimethylcyclohexen-1-yl]but-3-en-2-one |
