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dihydronootkatone
General Material Information
| Preferred name | dihydronootkatone |
| Trivial Name | 1,10-Dihydronootkatone |
| Short Description | 4beta,5alpha-eremophil-11-en-2-one |
| Formula | C15 H24 O |
| CAS Number | 20489-53-6 |
| FEMA Number | 3776 |
| Flavis Number | 7.153 |
| FDA UNII | V06626C1NF |
| xLogP3-AA | 4.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1407 dihydronootkatone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 20489-53-6 ; DIHYDRONOOTKATONE |
| 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): | HMDB32220 |
| FooDB: | FDB009290 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 220.35548400879 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.122 to 8.231 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.113 to 8.221 |
| Refractive Index | 1.502 to 1.508 @ 20 °C |
| Boiling Point | 298 to 299°C @ 760 mm Hg |
| Boiling Point | 100 to 104°C @ 0.07 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 4.346 est |
| Solubility | |
| alcohol | Yes |
| water, 3.456 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Citrus | |
| citrus peel, grapefruit | |
| General comment | At 100.00 %. citrus fruit grapefruit |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Ginger root oil replacer |
| Flavoring purposes | Citrus, Fruit tropical fruit, Grapefruit |
Safety Information
Safety information
| 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 LD50 > 5 ml/kg (Sedlacek, 1985) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for dihydronootkatone usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.90 (μg/capita/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| 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: 16 | |||
| Click here to view publication 16 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.50000 | 4.00000 | |
| beverages(nonalcoholic): | 0.20000 | 0.30000 | |
| beverages(alcoholic): | 0.50000 | 1.50000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 5.00000 | 10.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.50000 | 1.50000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.70000 | 2.00000 | |
| fruit ices: | 0.60000 | 1.80000 | |
| gelatins / puddings: | 1.00000 | 3.00000 | |
| granulated sugar: | 0.50000 | 1.50000 | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 3.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.20000 | 0.50000 | |
| jams / jellies: | 0.80000 | 2.50000 | |
| meat products: | - | - | |
| milk products: | 0.50000 | 1.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 1.00000 | 3.00000 | |
| snack foods: | - | - | |
| soft candy: | 1.00000 | 3.00000 | |
| 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 47, (FGE.47)[1] - Bicyclic secondary alcohols, ketones and related esters from chemical group 8 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 87, (FGE.87)[1] - Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 87 Revision 1 (FGE.87Rev1): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6427078 |
| National Institute of Allergy and Infectious Diseases:Data |
| (4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-2-one |
| Chemidplus:0020489536 |