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celery ketone
General Material Information
| Preferred name | celery ketone |
| Trivial Name | Celery ketone |
| Short Description | 3-methyl-5-propyl-2-cyclohexen-1-one |
| Formula | C10 H16 O |
| CAS Number | 3720-16-9 |
| FEMA Number | 3577 |
| Flavis Number | 7.129 |
| ECHA Number | 223-069-0 |
| FDA UNII | 6P422HTI94 |
| Nikkaji Number | J205.632A |
| MDL | MFCD00482082 |
| xLogP3-AA | 2.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1113 3-methyl-5-propyl-2-cyclohexen-1-one |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 3720-16-9 ; 3-METHYL-5-PROPYL-2-CYCLOHEXEN-1-ONE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| Leffingwell: | Chirality or Article |
| 3-methyl-5-propylcyclohex-2-en-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3720-16-9 |
| Pubchem (cid): | 3782139 |
| Pubchem (sid): | 135263596 |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB31854 |
| FooDB: | FDB008538 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 152.23672485352 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.689 to 7.722 |
| Refractive Index | 1.481 to 1.486 @ 20 °C |
| Boiling Point | 242 to 244°C @ 760 mm Hg |
| Boiling Point | 122 to 123°C @ 12 mm Hg |
| Vapor Pressure | 0.063 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 2.16 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, 2730 mg/L @ 20 °C (exp) | Yes |
| Stability | |
| alcoholic - good | Unspecified |
| antiperspirant spray - good | Unspecified |
| APC (pH = 10) - good | Unspecified |
| candles - good | Unspecified |
| damp fabric - moderate | Unspecified |
| dry fabric - poor | Unspecified |
| liquid bleach - poor | Unspecified |
| pH = 2 - good | Unspecified |
| powder detergent - good | Unspecified |
| powder detergent + activator - good | Unspecified |
| soap - good | Unspecified |
| toiletries - good | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| fresh, celery, green, cumin | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 48 hour(s) at 100.00 % |
| Luebke, William tgsc, (1986) | At 10.00 % in dipropylene glycol. fresh celery green cumin |
| Flavor Type: Green | |
| green, herbal, celery, spicy, grassy | |
| Luebke, William tgsc, (1986) | Green herbal celery spicy grassy |
| Adds a green, herbaceous, celery flavor. Blends well with basil and tarragon. | Green |
Potential Uses
| Applications | |
| Odor purposes | Amber , Carnation , Celery , Chypre , Green , Jasmin , Lovage root , Oriental , Spice , Tobacco , Woody |
| Flavoring purposes | Lovage root |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 2700 mg/kg | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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 | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 11 | |||
| Click here to view publication 11 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 14.70000 | |
| beverages(nonalcoholic): | - | 5.90000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 6.50000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 4.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 9.30000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 10.50000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 212: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 212 Revision 1 (FGE.212Rev1): alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19. View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 51, Revision 1 (FGE.51Rev1): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by the JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev3 (2011) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 212 Revision 3 (FGE.212Rev3): a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19 View page or View pdf |
| Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3720-16-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :3782139 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-methyl-5-propylcyclohex-2-en-1-one |
| Chemidplus:0003720169 |