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1-octen-3-one
General Material Information
| Preferred name | 1-octen-3-one |
| Trivial Name | 1-Octen-3-one |
| Short Description | vinyl amyl ketone |
| Formula | C8 H14 O |
| CAS Number | 4312-99-6 |
| FEMA Number | 3515 |
| Flavis Number | 7.081 |
| ECHA Number | 224-327-5 |
| FDA UNII | 7LT7Z4Q9XR |
| Nikkaji Number | J126.519I |
| MDL | MFCD00036558 |
| COE Number | 2312 |
| xLogP3-AA | 2.40 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1148 1-octen-3-one |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 4312-99-6 ; 1-OCTEN-3-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-1-en-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4312-99-6 |
| Pubchem (cid): | 61346 |
| Pubchem (sid): | 135018171 |
| Flavornet: | 4312-99-6 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31309 |
| FooDB: | FDB003365 |
| YMDB (Yeast Metabolome Database): | YMDB01444 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 126.19877624512 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.765 to 6.815 |
| Refractive Index | 1.428 to 1.439 @ 20 °C |
| Boiling Point | 59 to 60°C @ 16 mm Hg |
| Boiling Point | 174 to 182°C @ 760 mm Hg |
| Vapor Pressure | 1.063 mmHg @ 25 °C |
| Vapor Density | 4.3 |
| Flash Point TCC Value | 51.67 °C TCC |
| logP (o/w) | 2.18 est |
| Solubility | |
| alcohol | Yes |
| water, 895.4 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic fine fragrance | Good |
| antiperspirant | Good |
| fabric softener | Good |
| soap | Good |
| toiletry application | Good |
| liquid detergent | Fair |
| perborate powder detergent | Fair |
| hypochlorite bleach | Poor |
Organoleptic Properties
| Odor Type: Earthy | |
| herbal, mushroom, earthy, musty, dirty, metallic, vegetable, cabbage, broccoli, savory, fishy, chicken | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | > 4 hour(s) at 100.00 % |
| General comment | At 1.00 % in dipropylene glycol. herbal mushroom earthy musty dirty |
| Mosciano, Gerard P&F 26, No. 5, 68, (2001) | At 0.10 % in triacetin. Intense earthy, metallic, mushroom-like with vegetative nuances of cabbage and broccoli. It has minor savory notes of fish and chicken |
| Flavor Type: Earthy | |
| creamy, earthy, mushroom, fishy, vegetable | |
| Mosciano, Gerard P&F 26, No. 5, 68, (2001) | At 0.01 - 0.20 ppm. Intense creamy earthy mushroom with fishy and vegetative nuances |
| Used in mushroom flavors and for an earthy note. | Strong musty, mushroom |
| Used in flavours for snack foods: in baked goods at 2ppm, and sauces/soups at 1ppm. | Mushroom |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple, Crabapple, Avocado, Balsam, Botanical, Chestnut blossom, Chypre, Clematis, Clover, Country meadow, Earth, Evergreen, Fern, Fir needle oil replacer, Floral, Fungus, Galbanum, Heather, Herbal, Lavandin, Lavender, Orchid, Fresh outdoors, Privet blossom, Pumpkin pie, Rhubarb, Root, Stephanotis, Tulip |
| Flavoring purposes | Artichoke, Asparagus, Cauliflower, Cheese, Chicory root, Cloudberry bakeapple, Crab, Dairy, Fish, Jackfruit, Pepper bell pepper, Shellfish, Spearmint, Tomato, Vegetable |
| Other purposes | Parsnip, Truffle |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. 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: | |
| oral-rat LD50 175 mg/kg Used in flavours for snack foods: in baked goods at 2ppm, and sauces/soups at 1ppm. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3300 mg/kg Used in flavours for snack foods: in baked goods at 2ppm, and sauces/soups at 1ppm. | |
| 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 1-octen-3-one usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.50 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (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: 10 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| 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: | - | 1.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 1.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 1.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 3.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 2.00000 | 10.00000 | |
| Confectionery (05.0): | 4.00000 | 20.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 10.00000 | |
| Bakery wares (07.0): | 5.00000 | 25.00000 | |
| Meat and meat products, including poultry and game (08.0): | 1.00000 | 5.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 | |
| Eggs and egg products (10.0): | 1.00000 | 5.00000 | |
| Sweeteners, including honey (11.0): | 1.00000 | 5.00000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 3.00000 | 15.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 10.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 20.00000 | |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 2.00000 | 10.00000 | |
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): |
| List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 205 (FGE.205): Consideration of genotoxicity data on representatives for 13 a,ß-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 by EFSA View page or View pdf |
| Scientific opinion of Flavouring Group Evaluation 205 Revision 1 (FGE.205Rev1): consideration of genotoxicity data on representatives for 13 a,ß-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 View page or View pdf |
| Safety and efficacy of oct-1-en-3-ol, pent-1-en-3-ol, oct-1-en-3-one, oct-1-en-3-yl acetate, isopulegol and 5-methylhept-2-en-4-one, belonging to chemical group 5 and of isopulegone and a-damascone belonging to chemical group 8 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):4312-99-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61346 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2810 |
| WGK Germany:3 |
| oct-1-en-3-one |
| Chemidplus:0004312996 |