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| IUPAC name : | 3-methylnonane-2,4-dione |
| InChI : | InChI=1/C10H18O2/c1-4-5-6-7-10(12)8(2)9(3)11/h8H,4-7H2,1-3H3 |
| InChIKey : | BGVBGAIWXAXBLP-UHFFFAOYAZ |
| SMILES : | CCCCCC(=O)C(C)C(=O)C |
| cas number : | 113486-29-6 |
| fema number : | 4057 |
| fl. number : | 07.184 |
| molar refractivity : | 48.39 ± 0.3 cm3 |
| parachor : | 437.5 ± 4.0 cm3 |
| index of refraction : | 1.427 ± 0.02 |
| surface tension : | 29.1 ± 3.0 dyne/cm |
| density : | 0.904 ± 0.06 g/cm3 |
| polarizability : | 19.18 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| molecular weight : | 170.2487200 (IUPAC) |
| formula : | C10 H18 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Endeavour : | 3-Methylnonane-2,4-dione
97% |
| Givaudan : | 3-Methyl-2,4-nonanedione
≥97%, NI, Kosher Odor: Caramel,A bit burnt Fruity, straw like notes, caramel notes. |
| Penta : | 3-methyl-2,4-nonanedione
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| Treatt : | 3-Methyl-2,4-nonanedione
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organoleptics :
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odor description:
| fruity straw caramel burnt |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 235.00 to 236.00 °C. @ 760.00 mm Hg
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| flash point : | 215.00 °F. TCC ( 101.67 °C. )
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| logP (o/w) : | 2.81 |
safety :
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| |
| recommendation for methyl nonane dione fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| 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 on the "LIBRARY" link. |
| publication number : 21 |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | - | 0.00100 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | 0.01000 | 0.10000 |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | 0.00100 |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | 0.00100 |
| jams / jellies : | - | - |
| meat products : | 0.02500 | 0.30000 |
| milk products : | 0.00100 | 0.00100 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | 0.10000 | 1.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
| EPA Chem. Sub. Inventory : | Yes |
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| | 3-methylnonane-2,4-dione |
| chemidplus : | 113486296 |
| EPA Substance Registry Services : | 113486-29-6 |
references :
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| | 3-methylnonane-2,4-dione |
| fl. number : | 07.184 |
| NIST Chemistry WebBook : | 3850980689 |
| pubchem : | 11077515 |
| Flavornet : | 113486-29-6 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |