celery ketone
3-methyl-5-propyl-2-cyclohexen-1-one
Identification
| Name | celery ketone |
| IUPAC | 3-methyl-5-propylcyclohex-2-en-1-one |
| CAS Number | 3720-16-9 |
| EINECS | 223-069-0 |
| FDA UNII | 6P422HTI94 |
| Molecular Formula | C10 H16 O |
| Molecular Weight | 152.23672000 |
| MDL Number | MFCD00482082 |
| Nikkaji Number | J205.632A |
Regulatory
| JECFA Food Flavoring | 1113 3-methyl-5-propyl-2-cyclohexen-1-one |
| DG SANTE Food Flavourings | 07.129 3-methyl-5-propylcyclohex-2-en-1-one |
| FEMA Number | 3577 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 3720-16-9 ; 3-METHYL-5-PROPYL-2-CYCLOHEXEN-1-ONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.92400 to 0.92800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.689 to 7.722 |
| Refractive Index | 1.48100 to 1.48600 @ 20.00 °C. |
| Boiling Point | 242.00 to 244.00 °C. @ 760.00 mm Hg, 122.00 to 123.00 °C. @ 12.00 mm Hg |
| Vapor Pressure | 0.063000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 2.160 (est) |
| Soluble in | alcohol |
| Stability | alcoholic - good |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 48 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Herbaceous, Spicy, Celery herbaceous, spicy celery CELERY, GREEN, CUMIN, FRESH Herbaceous, Spicy, Celery
|
| Odor sample from | Roure Bertrand Dupont Inc. |
| Taste Description |
green herbal celery spicy grassy green
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 2700 mg/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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for celery ketone usage levels up to | 3.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.097 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 4.10 (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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