2-undecanone
nonyl methyl ketone
Identification
| Name | 2-undecanone |
| IUPAC | undecan-2-one |
| CAS Number | 112-12-9 |
| EINECS | 203-937-5 |
| FDA UNII | YV5DSO8CY9 |
| Molecular Formula | C11 H22 O |
| Molecular Weight | 170.29554000 |
| MDL Number | MFCD00009583 |
| Nikkaji Number | J5.119E |
| Beilstein | 1749573 |
| CoE Number | 150 |
| XlogP3 | 4.10 (est) |
Regulatory
| JECFA Food Flavoring | 296 2-undecanone |
| DG SANTE Food Flavourings | 07.016 undecan-2-one |
| FEMA Number | 3093 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 112-12-9 ; 2-UNDECANONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.82200 to 0.82600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.840 to 6.873 |
| Refractive Index | 1.42800 to 1.43200 @ 20.00 °C. |
| Melting Point | 11.00 to 14.00 °C. @ 760.00 mm Hg |
| Boiling Point | 231.00 to 232.00 °C. @ 760.00 mm Hg, 140.00 to 141.00 °C. @ 50.00 mm Hg |
| Acid Value | 5.00 max. KOH/g |
| Vapor Pressure | 0.098000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 5.9 ( Air = 1 ) |
| Flash Point | 192.00 °F. TCC ( 88.89 °C. ) |
| logP (o/w) | 4.090 |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Stability | hair spray |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 128 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Waxy, fruity, ketonic with fatty pineapple nuances A rose, citrus, orris-like character chemical oily-waxy wine fruity-floral rosy citrus orris Fruity-rosy Orange-like
|
| Odor sample from | Harrmann & Reimer Corporation |
| Taste Description |
fruity, fatty at 30.00 ppm. Blue cheese, winey Blue cheese character with fatty and waxy nuances
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 5% in petrolatum produced no irritation or sensitization in humans. |
| Oral/Parenteral Toxicity | oral-mouse LD50 950 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 2-undecanone usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 330.00 (μg/capita/day) |
| 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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