dihydronootkatone
4beta,5alpha-eremophil-11-en-2-one
Identification
| Name | dihydronootkatone |
| IUPAC | (4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-2-one |
| CAS Number | 20489-53-6 |
| FDA UNII | V06626C1NF |
| Molecular Formula | C15 H24 O |
| Molecular Weight | 220.35548000 |
Regulatory
| JECFA Food Flavoring | 1407 dihydronootkatone |
| DG SANTE Food Flavourings | 07.153 (4R,4aS,6R,8aS)-1,10-dihydronootkatone |
| FEMA Number | 3776 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 20489-53-6 ; DIHYDRONOOTKATONE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 90.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97500 to 0.98800 @ 20.00 °C., 0.97500 to 0.98800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.122 to 8.231 |
| Pounds per Gallon - est. | 8.113 to 8.221 |
| Refractive Index | 1.50200 to 1.50800 @ 20.00 °C. |
| Boiling Point | 298.00 to 299.00 °C. @ 760.00 mm Hg, 100.00 to 104.00 °C. @ 0.07 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 4.346 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 100.00 %. FRUITY, CITRIC
|
Safety Information
| Oral/Parenteral Toxicity | oral-rat LD50 > 5 ml/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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 |
| baked goods | 1.50000 |
| beverages(nonalcoholic) | 0.20000 |
| beverages(alcoholic) | 0.50000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 5.00000 |
| condiments / relishes | - |
| confectionery froastings | 0.50000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.70000 |
| fruit ices | 0.60000 |
| gelatins / puddings | 1.00000 |
| granulated sugar | 0.50000 |
| gravies | - |
| hard candy | 1.00000 |
| imitation dairy | - |
| instant coffee / tea | 0.20000 |
| jams / jellies | 0.80000 |
| meat products | - |
| milk products | 0.50000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 1.00000 |
| snack foods | - |
| soft candy | 1.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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