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| IUPAC name : | 2,2-diethoxyethylbenzene |
| InChI : | InChI=1/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 |
| InChIKey : | FYERTDTXGGOMGT-UHFFFAOYAI |
| SMILES : | CCOC(CC1=CC=CC=C1)OCC |
| cas number : | 6314-97-2 |
| (EINECS) number : | 228-642-9 |
| fema number : | 4625 |
| molar refractivity : | 57.78 ± 0.3 cm3 |
| parachor : | 479.7 ± 4.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 32.2 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 22.90 ± 0.5 10-24cm3 |
| XlogP : | 2.70 |
| XlogP3-AA : | 2.80 |
| molecular weight : | 194.2701200 |
| formula : | C12 H18 O2 |
| BioActivity Analysis : | 82741 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | PHENYL ACETALDEHYDE DIETHYL ACETAL
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organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description : at 100.00 %. | fresh green bluebell almond sweet limeblossom |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 237.00 to 238.00 °C. @ 760.00 mm Hg
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| boiling point : | 91.00 to 92.00 °C. @ 8.00 mm Hg
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| flash point : | not determined
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| logP (o/w) : | 3.14 |
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 phenyl acetaldehyde diethyl acetal 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 : 24 |
| | average usual ppm | average maximum ppm |
| baked goods : | 0.10000 | 1.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | 0.10000 | 1.00000 |
| 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 : | 0.10000 | 1.00000 |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 2,2-diethoxyethylbenzene
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| (EINECS) number : | 228-642-9 |
| chemidplus : | 006314972 |
| EPA Substance Registry Services : | 6314-97-2 |
| dtp/nci : | 20031 |
references :
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| | 2,2-diethoxyethylbenzene
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| NIST Chemistry WebBook : | 1834009021 |
| pubchem : | 657587 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |