5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
Identification
| Name | 5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one |
| IUPAC | 5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one |
| CAS Number | 17369-60-7 |
| EINECS | 241-403-3 |
| FDA UNII | 9MM11393HF |
| Molecular Formula | C12 H20 O |
| Molecular Weight | 180.29060000 |
| Nikkaji Number | J287.027D |
| CoE Number | 168 |
Regulatory
| JECFA Food Flavoring | 1111 tetramethylethylcyclohexenone (mixture of isomers) |
| DG SANTE Food Flavourings | 07.035 tetramethylethylcyclohexenone (mixture of isomers) |
| FEMA Number | 3061 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
Physical Properties
| Appearance | colorless to pale yellow clear oily liquid (est) |
| Assay | 97.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.92700 to 0.93400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.714 to 7.772 |
| Refractive Index | 1.48500 to 1.49000 @ 20.00 °C. |
| Boiling Point | 113.00 to 115.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.028000 mmHg @ 25.00 °C. (est) |
| Flash Point | 224.00 °F. TCC ( 106.67 °C. ) |
| logP (o/w) | 2.981 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 10.00 % in propylene glycol. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 7.80 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.20 (μg/capita/day) |
| Structure Class | II |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
5-
ethyl-2,3,4,5-tetramethyl cyclohexen-1-one
5-
ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one
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