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alpha-ionone
General Material Information
| Preferred name | alpha-ionone |
| Trivial Name | α-Ionone |
| Short Description | 3-buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)- |
| Formula | C13 H20 O |
| CAS Number | 127-41-3 |
| Deleted CAS Number | 30685-95-1 |
| FEMA Number | 2594 |
| ECHA Number | 204-841-6 |
| FDA UNII | I9V075M61R |
| Nikkaji Number | J183.660I |
| Beilstein Number | 3197885 |
| MDL | MFCD00001565 |
| COE Number | 141 |
| xLogP3-AA | 3.00 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 388 alpha-ionone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 127-41-3 ; ALPHA-IONONE |
| 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
| Leffingwell: | Chirality or Article |
| (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 127-41-3 |
| Pubchem (cid): | 5282108 |
| Pubchem (sid): | 134974059 |
| Flavornet: | 127-41-3 |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C12286 |
| HMDB (The Human Metabolome Database): | HMDB59883 |
| FooDB: | FDB014484 |
| 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 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.714 to 7.763 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.731 to 7.798 |
| Refractive Index | 1.497 to 1.502 @ 20 °C |
| Boiling Point | 237 to 238°C @ 760 mm Hg |
| Vapor Pressure | 0.014 mmHg @ 25 °C |
| Vapor Density | 7 |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 3.995 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Refrigerate in tightly sealed containers. |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| fixed oils | Yes |
| paraffin oil | Yes |
| water, 1.00E+06 mg/L @ 25 °C (exp) | Yes |
| glycerin | No |
| Stability | |
| acid cleaner | Unspecified |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| liquid detergent | Unspecified |
| non-discoloring in most media | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| sweet, woody, floral, violet, orris, tropical, fruity | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 112 hour(s) at 100.00 % |
| Luebke, William tgsc, (1983) | At 10.00 % in dipropylene glycol. sweet woody floral violet orris tropical fruity |
| Flavor Type: Floral | |
| floral, violet, powdery, berry, raspberry, tropical, blackberry, blueberry | |
| Luebke, William tgsc, (1983) | Floral violet powdery berry raspberry tropical blackberry blueberry |
| Useful in all types of berry flavors, especially raspberry and blackberry, and imparts cherry-floral notes for a variety of flavors. Also useful for honey and tea flavors. | Characteristic ionone, floral, berry |
| General comment | Violet |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Abronia, Acacia, Almond, Amber, Ambrene, Angel essence, Apple blossom, Apricot, Azalea, Balsam, Banana, Bergamot, Berry, Blackberry, Blueberry, Boronia, Cedar, Cherry, Cherry black cherry, Cherry blossom, Christmas, Citrus, Country meadow, Crabapple blossom, Currant, Currant bud absolute replacer, Floral, Florida breeze, Gardenia, Genet, Grape, Hibiscus, Honey, Hugonia, Hyacinth, Jasmin, Lemon, Lily, Lily of the valley, Linden flower, Loganberry, Lotus, Mulberry, Musk, Opoponax, Oriental, Orris, Papaya, Passion fruit, Pine, Plum, Poppy red poppy, Powder, Raspberry, Rose, Rose red rose, Rose tea rose, Rose white rose, Sandalwood, Strawberry, Sweet pea, Tuberose, Valerian, Violet, Wallflower, Woody, Ylang ylang |
| Flavoring purposes | Currant bud absolute replacer, Tropical, Valerian |
| Other purposes | Aimant, Chanel #5, Emeraude, Fir, Fixer, L'heure bleue, L'origan, Leaf, Paris, Scandal, Tabu, Tide |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. R 42/43 - May cause sensitization by inhalation and skin contact. 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) | |
| Respiratory sensitisation (Category 1), H334 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Danger |
| Hazard statement(s) | |
| H334 - May cause allergy or asthma symptoms or breathing difficulties if inhaled | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P285 - In case of inadequate ventilation wear respiratory protection. P304 + P341 - IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. P342 + P311 - IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| intraperitoneal-mouse LD50 2277 mg/kg FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 46, 1967. | |
| 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: | |||
| 1.0000 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).(IFRA, 2002) | |||
| Recommendation for alpha-ionone usage levels up to: | |||
| 15.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 2.0100 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.05 mg/kg/day (IFRA, 2002) | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 270.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 150.00 (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: | - | 6.70000 | |
| beverages(nonalcoholic): | - | 2.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 39.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.60000 | |
| fruit ices: | - | 3.60000 | |
| gelatins / puddings: | - | 3.60000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 12.00000 | |
| 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
| 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 |
| List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) 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 |
| Safety and efficacy of secondary alicyclic saturated and unsaturated alcohols, ketones, ketals and esters with ketals containing alicyclic alcohols or ketones and esters containing secondary alicyclic alcohols from chemical group 8 when used as flavourings for all animal species 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 |
| Safety of 31 flavouring compounds belonging to different chemical groups when used as feed additives for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):127-41-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5282108 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one |
| Chemidplus:0000127413 |
| RTECS:EN0525000 for cas# 127-41-3 |