1-(3-(methyl thio)-butyryl)-2,6,6-trimethyl cyclohexene
1-(3-(methylthio)-butyryl)-2,6,6-trimethylcyclohexene
Identification
| Name | 1-(3-(methyl thio)-butyryl)-2,6,6-trimethyl cyclohexene |
| CAS Number | 68697-67-6 |
| FDA UNII | 2TCW7MIT5C |
| Molecular Formula | C14 H24 O S |
| Molecular Weight | 240.40948000 |
Regulatory
| JECFA Food Flavoring | 1942 1-(3-(methylthio)-butyryl)-2,6,6-trimethylcyclohexene |
| FEMA Number | 4569 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 68697-67-6 ; 1-(3-(METHYLTHIO)-BUTYRYL)-2,6,6-TRIMETHYLCYCLOHEXENE |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.99300 to 0.99600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.272 to 8.297 |
| Refractive Index | 1.50500 to 1.51100 @ 20.00 °C. |
| Boiling Point | 332.00 to 334.00 °C. @ 760.00 mm Hg, 112.00 °C. @ 2.00 mm Hg |
| Vapor Pressure | 0.000137 mmHg @ 25.00 °C. (est) |
| Flash Point | 311.00 °F. TCC ( 155.00 °C. ) |
| logP (o/w) | 4.520 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | sweet fruity tobacco |
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 | flavoring agents |
| Recommendation for 1-(3-(methyl thio)-butyryl)-2,6,6-trimethyl cyclohexene usage levels up to | not for fragrance use. |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | 0.00100 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | 0.00500 |
| gelatins / puddings | 0.00100 |
| 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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Exchange of knowledge
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Potential Uses
Natural Occurrence
Synonyms
3-(
methyl thio)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone
1-(3-(
methyl thio)butyryl)-2,6,6-trimethyl cyclohexene
3-(
methylthio)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone
(+/-)-1-(3-(
methylthio)-butyryl)-2,6,6-trimethylcyclohexene
1-(3-(
methylthio)-butyryl)-2,6,6-trimethylcyclohexene
1-(3-(
methylthio)-butyryl)-2,6,6-trimethylcyclohexene, (+/-)
1-(3-(
methylthio)butyryl)-2,6,6-trimethylcyclohexene
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