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| IUPAC name : | (3E)-4,8-dimethylnona-3,7-dien-2-one |
| InChI : | InChI=1/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3/b10-8+ |
| InChIKey : | QAFYGHBGWCPRCI-CSKARUKUBI |
| SMILES : | CC(=CCC/C(=C/C(=O)C)/C)C |
| cas number : | 817-88-9 |
| fema number : | 3969 |
| jecfa number : | 1137 |
| fl. number : | 07.256 |
| molar refractivity : | 52.84 ± 0.3 cm3 |
| parachor : | 441.6 ± 4.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 26.8 ± 3.0 dyne/cm |
| density : | 0.856 ± 0.06 g/cm3 |
| polarizability : | 20.94 ± 0.5 10-24cm3 |
| XlogP : | 2.80 |
| molecular weight : | 166.2600200 |
| formula : | C11 H18 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | floral fruity |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86900 to 0.87500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.231 to 7.281
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| refractive index : | 1.47300 to 1.47700 @ 20.00 °C.
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| boiling point : | 200.00 to 201.00 °C. @ 760.00 mm Hg
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| flash point : | 216.00 °F. TCC ( 102.22 °C. )
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| logP (o/w) : | 3.22 |
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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| recommendation for (E+Z)-4,8-dimethyl-3,7-nonadien-2-one usage levels up to : |
| | 5.0000 % 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 : 20 |
| | average usual ppm | average maximum ppm |
| baked goods : | 50.00000 | 300.00000 |
| beverages(nonalcoholic) : | 1.00000 | 10.00000 |
| beverages(alcoholic) : | 5.00000 | 40.00000 |
| breakfast cereal : | 1.00000 | 10.00000 |
| cheese : | - | - |
| chewing gum : | 50.00000 | 250.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 5.00000 | 40.00000 |
| egg products : | 5.00000 | 40.00000 |
| fats / oils : | 3.00000 | 150.00000 |
| fish products : | 5.00000 | 40.00000 |
| frozen dairy : | 10.00000 | 60.00000 |
| fruit ices : | 10.00000 | 60.00000 |
| gelatins / puddings : | 10.00000 | 60.00000 |
| granulated sugar : | - | - |
| gravies : | 5.00000 | 30.00000 |
| hard candy : | 30.00000 | 150.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | 2.00000 | 10.00000 |
| jams / jellies : | 20.00000 | 80.00000 |
| meat products : | - | - |
| milk products : | 5.00000 | 50.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 30.00000 |
| snack foods : | 5.00000 | 30.00000 |
| soft candy : | 30.00000 | 150.00000 |
| soups : | 1.00000 | 10.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
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| | (3E)-4,8-dimethylnona-3,7-dien-2-one
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| chemidplus : | 817-88-9 |
| EPA Substance Registry Services : | 817-88-9 |
references :
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| | (3E)-4,8-dimethylnona-3,7-dien-2-one
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| fl. number : | 07.256 |
| jecfa number : | 1137 |
| NIST Chemistry WebBook : | 817889 |
| pubchem : | 43183054 |
other :
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