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alpha-methyl ionone
General Material Information
| Preferred name | alpha-methyl ionone |
| Trivial Name | 5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one |
| Short Description | methyl alpha-ionone |
| Formula | C14 H22 O |
| CAS Number | 7779-30-8 |
| Flavis Number | 7.009 |
| ECHA Number | 231-926-5 |
| FDA UNII | Search |
| MDL | MFCD00031478 |
| COE Number | 143 |
| xLogP3-AA | 3.40 (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 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2914.23.0000 |
| ChemSpider: | View |
Suppliers
| Azelis UK | Berjé |
| Creatingperfume.com | Global Essence |
| IFF | Perfumery Laboratory |
| Sigma-Aldrich: Aldrich | SRS Aromatics |
| The John D. Walsh Company | Global Essence Inc. |
| SRS Aromatics Ltd | Taytonn ASCC |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 206.3285369873 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.664 to 7.739 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.698 to 7.764 |
| Refractive Index | 1.498 to 1.503 @ 20 °C |
| Boiling Point | 285 to 286°C @ 760 mm Hg |
| Vapor Pressure | 0.003 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 4.535 |
| 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, 3.328 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Powdery | |
| sweet, powdery, fruity, floral, violet, beeswax, orris, woody | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | > 48 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 10.00 % in dipropylene glycol. sweet powdery fruity floral violet beeswax orris woody |
| Flavor Type: Fruity | |
| fruity, waxy, berry, orris, floral, violet, jammy, woody | |
| Luebke, William tgsc, (1985) | Fruity waxy berry orris floral violet jammy woody |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Amber , Baby powder , Balsam , Bayberry , Beeswax absolute replacer , Berry , Blackberry , Blueberry , Bouquet , Carnation , Cassia , Cedar , Cherry , Cherry blossom , Chypre , Cranberry , Cyclamen , Fern , Fetes , Fir needle oil replacer , Floral , Fruit , Gardenia , Genet , Ginger white ginger , Heather , Honey , Jasmin , Jonquil , Leather , Leather russian leather , Lily of the valley , Maja , Millefleurs , Mimosa , Moss , Musk , Oriental , Orris , Patchouli , Petunia , Potpourri , Powder , Prune , Raspberry , Rose , Rose tea rose , Sandalwood , Spice , Strawberry , Valerian , Violet , Wallflower , Wisteria , Woody |
| Flavoring purposes | Valerian |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| 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: | |||
| Dermal sensitization | |||
| IFRA Other Specification: | |||
| View the IFRA Standard | |||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 5.40 % | |||
| Category 2: Products applied to the axillae | |||
| 1.60 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 32.00 % | |||
| Category 4: Products related to fine fragrance | |||
| 30.00 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 7.60 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 7.60 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 7.60 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 7.60 % | |||
| Category 6: Products with oral and lip exposure | |||
| 18.00 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 61.00 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 61.00 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 3.20 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 59.00 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 100.00 % | |||
| Category 10B: Household aerosol/spray products | |||
| 100.00 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 100.00 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 100.00 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 86.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 7.00 (μg/capita/day) | ||
| Structure Class: | I | ||
| 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: | - | 6.50000 | |
| beverages(nonalcoholic): | - | 1.70000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 0.60000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.40000 | |
| fruit ices: | - | 2.40000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 6.60000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 0.21000 | |
| 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
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19 View page or View pdf |
| Flavouring Group Evaluation 210: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19[1] View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 210 Revision 2 (FGE.210Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 210 Revision 3 (FGE.210Rev3): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):7779-30-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61071 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WGK Germany:2 |
| 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one |
| Chemidplus:0007779308 |
| EPA/NOAA CAMEO:hazardous materials |