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3-octen-2-one
General Material Information
| Preferred name | 3-octen-2-one |
| Trivial Name | 3-Octen-2-one |
| Short Description | 1-hexenyl methyl ketone |
| Formula | C8 H14 O |
| CAS Number | 1669-44-9 |
| FEMA Number | 3416 |
| Flavis Number | 7.107 |
| ECHA Number | 216-793-3 |
| FDA UNII | M26AH283XV |
| MDL | MFCD00015565 |
| COE Number | 11170 |
| xLogP3-AA | 2.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1128 3-octen-2-one |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1669-44-9 ; 3-OCTEN-2-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
| oct-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1669-44-9 |
| Pubchem (cid): | 15475 |
| Pubchem (sid): | 134980872 |
| Flavornet: | 1669-44-9 |
| Pherobase: | View |
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): | HMDB33547 |
| FooDB: | FDB011611 |
| Export Tariff Code: | 2914.19.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
| Augustus Oils | Bedoukian Research |
| Beijing Lys Chemicals | BOC Sciences |
| Parchem | Penta International |
| Reincke & Fichtner | Synerzine |
| TCI AMERICA | Augustus Oils Ltd |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 126.19877624512 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.94 to 6.981 |
| Refractive Index | 1.445 to 1.449 @ 20 °C |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.897 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 54.44 °C TCC |
| logP (o/w) | 2.179 est |
| Solubility | |
| alcohol | Yes |
| water, 1045 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Earthy | |
| earthy, spicy, herbal, sweet, mushroom, hay, blueberry, oily, ketonic | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | > 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1997) | At 1.00 % in dipropylene glycol. earthy spicy herbal sweet mushroom hay blueberry |
| Mosciano, Gerard P&F 16, No. 2, 49, (1991) | Earthy, oily, ketonic, sweet, with hay and mushroom nuances |
| Flavor Type: Creamy | |
| creamy, earthy, oily, mushroom | |
| Mosciano, Gerard P&F 16, No. 2, 49, (1991) | At 5.00 ppm. Creamy, earthy, oily with mushroom nuances |
| Can be used for a variety of flavors, especially fermented notes for blue cheese, oily notes for sweet nuts such as hazelnut, brazil nut, and coconut. | Sweet, nutty, blue cheese, fermented |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Banana , Blueberry , Butter , Cream , Earth , Fungus , Strawberry |
| Flavoring purposes | Nut , Potato |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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: | |
| Not determined | |
| 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 3-octen-2-one usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.63 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (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: 7 | |||
| Click here to view publication 7 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.50000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 0.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| 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): |
| Scientific Opinion on Flavouring Group Evaluation 204 (FGE.204): Consideration of genotoxicity data on representatives for 18 mono-unsaturated, aliphatic, a,ß-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 204 Revision 1 (FGE.204Rev1): consideration of genotoxicity data on representatives for 17 monounsaturated, aliphatic, a,ß-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1669-44-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :15475 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1224 |
| WGK Germany:3 |
| oct-3-en-2-one |
| Chemidplus:0001669449 |