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2-undecanone
General Material Information
| Preferred name | 2-undecanone |
| Trivial Name | 2-Undecanone |
| Short Description | nonyl methyl ketone |
| Formula | C11 H22 O |
| CAS Number | 112-12-9 |
| FEMA Number | 3093 |
| Flavis Number | 7.016 |
| ECHA Number | 203-937-5 |
| FDA UNII | YV5DSO8CY9 |
| Nikkaji Number | J5.119E |
| Beilstein Number | 1749573 |
| MDL | MFCD00009583 |
| COE Number | 150 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 296 2-undecanone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 112-12-9 ; 2-UNDECANONE |
| 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
| undecan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 112-12-9 |
| Pubchem (cid): | 8163 |
| Pubchem (sid): | 134975693 |
| Flavornet: | 112-12-9 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C01875 |
| HMDB (The Human Metabolome Database): | HMDB33713 |
| FooDB: | FDB011831 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •formulation types registered: pressurized liquid: 1.9% methyl nonyl ketone +0.1% related compounds; 2.0% methyl nonyl ketone; granular: 1.9% methyl nonyl ketone +0.1% related compounds; 0.08% methyl nonyl ketone +0.42% cinnamaldehyde; 6.25% thiram, 6.25% methyl nonyl ketone and 5.50% castor oil (usp); liquid ready-to-use (pumpsprayer): 1.8-1.9% methyl nonyl ketone +0.1% related compounds; 2.0% methyl nonyl ketone; solid (crystalline): 1.8% methyl nonyl ketone +0.1% related compounds; liquid for reformulating use only: 63.33% methyl nonyl ketone and 3.34% related compounds. •major componentabout 90% in algerian rue oil | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 170.29554748535 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.84 to 6.873 |
| Refractive Index | 1.428 to 1.432 @ 20 °C |
| Melting Point | 11 to 14°C @ 760 mm Hg |
| Boiling Point | 231 to 232°C @ 760 mm Hg |
| Boiling Point | 140 to 141°C @ 50 mm Hg |
| Acid Value | 5 max KOH/g |
| Vapor Pressure | 0.098 mmHg @ 25 °C |
| Vapor Density | 5.9 |
| Flash Point TCC Value | 88.89 °C TCC |
| logP (o/w) | 4.09 |
| Shelf life | 12 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water, 19.71 mg/L @ 25 °C (est) | Yes |
| Stability | |
| hair spray | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
| shampoo | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| waxy, fruity, creamy, fatty, orris, floral, ketonic, pineapple | |
| Odor strength | medium |
| Substantivity | 128 hour(s) at 100.00 % |
| Luebke, William tgsc, (1983) | At 100.00 %. waxy fruity creamy fatty orris floral |
| Mosciano, Gerard P&F 16, No. 3, 79, (1991) | Waxy, fruity, ketonic with fatty pineapple nuances |
| Flavor Type: Waxy | |
| fruity, fatty, waxy, creamy, cheesy | |
| General comment | Fruity, fatty |
| Mosciano, Gerard P&F 16, No. 3, 79, (1991) | At 30.00 ppm. Waxy, fruity with creamy cheese like notes |
| Notes for Blue Cheese, wine, brandy. | Blue cheese, winey |
| 2-UNDECANONE has a unique floral and fatty pineapple profile which works perfectly in fruit, cheese, butter, nut and mushroom flavors. | Blue cheese character with fatty and waxy nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Agrumen aldehyde , Aldehydic , Algae , Amber , Ash mountain ash , Ash mountain ash blossom , Autumn , Bark , Botanical , Boxwood , Butter , Carnation , Cherry black cherry , Cherry blossom , Christmas , Cilantro , Clean linen , Clover , Coconut , Crabapple blossom , Dahlia , Daisy , Daphne , Davana oil replacer , Dillenia , Fern , Fir balsam , Floral , Flouve blossom , Freesia , Fungus , Gingergrass , Herbal , Hugonia , Lavender , Lemon , Lily , Maja , Mango flower , Musk , New car , Orange , Orange bitter orange peel , Orchid , Orris , Peach , Peony , Pineapple , Plum blossom , Rose , Rose d'orient , Rose red rose , Rue , Sap , Scented stock , Sweet pea , Tangerine , Tulip , Valerian , Wisteria |
| Flavoring purposes | Cheese blue cheese , Cheese cheddar cheese , Cilantro , Dairy , Orange bitter orange peel , Rue , Tropical , Valerian |
| Other purposes | Blossom , Dewy , Fantasy blends , Natural , Petal waxy petal , Waxy , Wet fields |
| 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. S 36 - Wear suitable protective clothing. | |
| 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. | |
| Human Experience: | |
| 5% in petrolatum produced no irritation or sensitization in humans. | |
| Oral/Parenteral Toxicity: | |
| oral-mouse LD50 950 mg/kg (Schafer & Bowles, 1985) oral-mouse LD50 [sex: M] 5460 mg/kg (Tanii et al., 1986) oral-mouse LD50 3880 mg/kg Acta Pharmaceutica Jugoslavica. Vol. 12, Pg. 79, 1962. oral-rat LD50 5000 mg/kg Farm Chemicals Handbook. Vol. -, Pg. C201, 1991. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 869, 1975. | |
| 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 2-undecanone usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 330.00 (μg/capita/day) | ||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 3.10000 | |
| beverages(nonalcoholic): | - | 2.80000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.54000 | |
| fruit ices: | - | 0.54000 | |
| gelatins / puddings: | - | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.60000 | |
| 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: | - | - | |
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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| Conclusion on the peer review of the pesticide risk assessment of the active substance methyl nonyl ketone View page or View pdf |
| Safety and efficacy of saturated and unsaturated aliphatic secondary alcohols, ketones and esters with esters containing secondary alcohols belonging to chemical group 5 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):112-12-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8163 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| undecan-2-one |
| Chemidplus:0000112129 |
| RTECS:YQ2820000 for cas# 112-12-9 |