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dihydro-beta-ionone
General Material Information
| Preferred name | dihydro-beta-ionone |
| Trivial Name | Dihydro-β-ionone |
| Short Description | 4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butanone |
| Formula | C13 H22 O |
| CAS Number | 17283-81-7 |
| FEMA Number | 3626 |
| ECHA Number | 241-318-1 |
| FDA UNII | 710YK6CESE |
| Nikkaji Number | J45.860K |
| MDL | MFCD00456730 |
| COE Number | 11060 |
| xLogP3-AA | 2.70 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 394 dihydro-beta-ionone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 17283-81-7 ; DIHYDRO-BETA-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
| 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 17283-81-7 |
| Pubchem (cid): | 519382 |
| Pubchem (sid): | 135283727 |
| 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): | C03527 |
| HMDB (The Human Metabolome Database): | HMDB32913 |
| FooDB: | FDB010896 |
| Export Tariff Code: | 2914.23.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 194.31753540039 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.664 to 7.73 |
| Refractive Index | 1.479 to 1.483 @ 20 °C |
| Boiling Point | 261 to 262°C @ 760 mm Hg |
| Vapor Pressure | 0.01 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.99 est |
| 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. store under nitrogen. |
| Solubility | |
| alcohol | Yes |
| water, 48 mg/L @ 20 °C (exp) | Yes |
| Stability | |
| alcoholic - good | Unspecified |
| antiperspirant spray - moderate | Unspecified |
| APC (pH = 10) - good | Unspecified |
| candles - good | Unspecified |
| damp fabric - good | Unspecified |
| dry fabric - good | Unspecified |
| liquid bleach - poor | Unspecified |
| pH = 2 - good | Unspecified |
| powder detergent - good | Unspecified |
| powder detergent + activator - good | Unspecified |
| soap - good | Unspecified |
| toiletries - good | Unspecified |
Organoleptic Properties
| Odor Type: Woody | |
| earthy, woody, mahogany, orris, dry, amber, cedar, berry, seedy, oily, raspberry, floral, tea, leafy | |
| Odor strength | medium |
| Substantivity | 9 hour(s) at 100.00 % |
| Luebke, William tgsc, (2007) | At 100.00 %. earthy woody mahogany orris dry amber |
| Mosciano, Gerard, (2009) | At 1.00 %. woody cedar, berry seedy, oily, raspberry with floral, tea and leafy nuances |
| Flavor Type: Woody | |
| woody, seedy, berry, raspberry, leafy, spicy | |
| Mosciano, Gerard, (2009) | At 5.00 ppm. woody, seedy, berry raspberry, with leafy, spicy nuances |
Occurrences
| (data available) |
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 , Earth , 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 , Whiskey |
| Other purposes | Diffusion |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
| R 38 - Irritating to skin. R 42/43 - May cause sensitization by inhalation and 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 37/39 - Wear suitable gloves and eye/face protection. 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) | |
| Skin irritation (Category 2), H315 Acute aquatic toxicity (Category 2), H401 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H401 - Toxic to aquatic life H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P391 - Collect spillage. Hazardous to the aquatic environment P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Dispose of contents/ container to an approved waste disposal plant. | |
| 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: | |||
| 1.3400 % 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-beta-ionone usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 4.2600 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.11 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): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 10.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 1.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 0.70000 | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.50000 | |
| imitation dairy: | - | 1.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 1.00000 | |
| meat products: | - | - | |
| milk products: | - | 1.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 1.20000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):17283-81-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :519382 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3082 |
| WGK Germany:2 |
| 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one |
| Chemidplus:0017283817 |