cistus cyclohexanone
2,2,6-trimethylcyclohexanone
Identification
| Name | cistus cyclohexanone |
| IUPAC | 2,2,6-trimethylcyclohexan-1-one |
| CAS Number | 2408-37-9 |
| EINECS | 219-309-9 |
| FDA UNII | CQ3ZL1YW7R |
| Molecular Formula | C9 H16 O |
| Molecular Weight | 140.22572000 |
| MDL Number | MFCD00045550 |
| Beilstein | 1905593 |
| CoE Number | 686 |
Regulatory
| JECFA Food Flavoring | 1108 2,2,6-trimethylcyclohexanone |
| DG SANTE Food Flavourings | 07.045 2,2,6-trimethylcyclohexanone |
| FEMA Number | 3473 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2408-37-9 ; 2,2,6-TRIMETHYLCYCLOHEXANONE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.90000 to 0.90700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.489 to 7.547 |
| Refractive Index | 1.44300 to 1.44900 @ 20.00 °C. |
| Melting Point | -31.80 °C. @ 760.00 mm Hg |
| Boiling Point | 178.00 to 179.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.986000 mmHg @ 25.00 °C. (est) |
| Flash Point | 125.00 °F. TCC ( 51.67 °C. ) |
| logP (o/w) | 2.410 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 10.00 % in dipropylene glycol. |
Safety Information
| European information | Most important hazard(s): |
| 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 cistus cyclohexanone usage levels up to | 0.1000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 2.10 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.04 (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
cyclohexanone, 2,2,6-trimethyl-
2,2,6-
trimethyl cyclohexan-1-one
2,2,6-
trimethyl cyclohexanone
1,1,3-
trimethyl-2-cyclohexanone
2,2,6-
trimethylcyclohexan-1-one
2,6,6-
trimethylcyclohexan-1-one
2,2,6-
trimethylcyclohexanone
2,6,6-
trimethylcyclohexanone
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