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alpha-ionol
General Material Information
| Preferred name | alpha-ionol |
| Trivial Name | α-Ionol |
| Short Description | 4-(2,6,6-trimethyl-2-cyclohexenyl)but-3-en-2-ol |
| Formula | C13 H22 O |
| CAS Number | 25312-34-9 |
| FEMA Number | 3624 |
| Flavis Number | 2.105 |
| ECHA Number | 246-815-7 |
| FDA UNII | 4QI2W5Y52K |
| Nikkaji Number | J181.800G |
| Beilstein Number | 2327829 |
| MDL | MFCD00036594 |
| xLogP3-AA | 3.00 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 391 alpha-ionol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 25312-34-9 ; ALPHA-IONOL |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB38731 |
| FooDB: | FDB018141 |
| Export Tariff Code: | 2906.19.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Bedoukian Research | BOC Sciences |
| Creatingperfume.com | Parchem |
| Penta International | Perfumery Laboratory |
| 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 | 7.63 to 7.689 |
| Refractive Index | 1.488 to 1.492 @ 20 °C |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 4.492 est |
| Solubility | |
| alcohol | Yes |
| water, 21.02 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| tropical, sweet, floral, violet, woody, berry, powdery | |
| Odor strength | medium |
| Substantivity | 88 hour(s) at 100.00 % |
| Luebke, William tgsc, (1995) | At 100.00 %. ionone tropical sweet floral violet woody |
| Mosciano, Gerard P&F 18, No. 1, 43, (1993) | Berry, sweet ionone-like, with a woody floral powdery note |
| Flavor Type: Woody | |
| woody, sweet, berry | |
| Mosciano, Gerard P&F 18, No. 1, 43, (1993) | At 10.00 ppm. Woody ionone-like with a sweet perfume berry nuance |
| Used in cherry, berry and spice flavors. | Berry |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Berry , Cherry , Powder , Raspberry , Spice , Vetiver , Violet , Woody |
| Flavoring purposes | Nut |
| 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. 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) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LDLo 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 359, 1988. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 359, 1988. | |
| 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 | |||
| Recommendation for alpha-ionol usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.61 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.06 (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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 3.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 5.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 2.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 1.50000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.00000 | |
| imitation dairy: | - | 2.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 2.00000 | |
| meat products: | - | - | |
| milk products: | - | 2.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 2.50000 | |
| 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 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):25312-34-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5363817 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol |
| Chemidplus:0025312349 |
| RTECS:EM9630050 for cas# 25312-34-9 |