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dihydro-alpha-ionone
General Material Information
| Preferred name | dihydro-alpha-ionone |
| Trivial Name | Dihydro-α-ionone |
| Short Description | 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butanone |
| Formula | C13 H22 O |
| CAS Number | 31499-72-6 |
| Deleted CAS Number | 49749-39-5 |
| FEMA Number | 3628 |
| Flavis Number | 7.132 |
| ECHA Number | 250-657-4 |
| FDA UNII | 20P9Z50AR5 |
| Nikkaji Number | J55.488J |
| Beilstein Number | 2088879 |
| MDL | MFCD00036599 |
| COE Number | 11059 |
| xLogP3-AA | 2.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 393 dihydro-alpha-ionone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 31499-72-6 ; DIHYDRO-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 |
| 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 31499-72-6 |
| Pubchem (cid): | 35821 |
| Pubchem (sid): | 134998812 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB38026 |
| Export Tariff Code: | 2914.23.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Bedoukian Research | BOC Sciences |
| Lluch Essence | Moellhausen |
| Penta International | Santa Cruz Biotechnology |
| Sigma-Aldrich | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 194.31753540039 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.639 to 7.68 |
| Refractive Index | 1.473 to 1.48 @ 20 °C |
| Vapor Pressure | 0.023 mmHg @ 25 °C |
| Flash Point TCC Value | 108.89 °C TCC |
| logP (o/w) | 4.064 est |
| Solubility | |
| alcohol | Yes |
| water, 11.64 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| woody, floral, berry, orris, powdery, violet, raspberry, fruity | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | > 29 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 10.00 % in dipropylene glycol. woody floral berry orris powdery violet raspberry fruity |
| Mosciano, Gerard P&F 17, No. 6, 41, (1992) | At 10.00 % in ethyl alcohol. Woody, floral, berry, fruity with orris powdery undernotes |
| Flavor Type: Berry | |
| creamy, berry, floral, woody, orris, earthy, violet, powdery, tropical, seedy, fruity | |
| Luebke, William tgsc, (2021) | Creamy berry floral woody orris earthy violet powdery tropical |
| Mosciano, Gerard P&F 17, No. 6, 41, (1992) | At 2.00 ppm. Berry, floral, woody, seedy with fruity undernotes |
| Berry type flavors, especially blackberry and raspberry. | Typical ionone, floral, berry |
| General comment | Berry, floral, woody, seedy with fruity undertones. |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Amber , Apple , Beeswax absolute replacer , Berry , Blueberry , Cassia , Chypre , Cranberry , Currant , Cyclamen , Fir needle oil replacer , Floral , Fruit , Genet , Grape , Herbal , Leather , Leather russian leather , Mimosa , Moss , Musk , Oriental , Orris , Patchouli , Prune , Raspberry , Rose , Strawberry , Violet , Woody |
| Other purposes | Charlie , Depth , Diffusion , Rounding off |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 38 - Irritating to skin. R 42/43 - May cause sensitization by inhalation and skin contact. S 02 - Keep out of the reach of children. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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 | |||
| maximum skin levels for fine fragrances: | |||
| 0.0200 % 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 dihydro-alpha-ionone usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 0.0200 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0005 mg/kg/day (IFRA, 2002) | |||
| 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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.50000 | |
| beverages(nonalcoholic): | - | 0.50000 | |
| beverages(alcoholic): | - | 0.50000 | |
| breakfast cereal: | - | 1.00000 | |
| cheese: | - | - | |
| chewing gum: | - | 2.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 0.50000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 0.30000 | |
| meat products: | - | - | |
| milk products: | - | 0.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | 0.05000 | |
| snack foods: | - | - | |
| soft candy: | - | 1.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | 0.30000 | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):31499-72-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :35821 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-one |
| Chemidplus:0031499726 |
| RTECS:EM0535000 for cas# 31499-72-6 |