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| IUPAC name : | 1,1-diethoxycyclohexane |
| InChI : | InChI=1/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3 |
| InChIKey : | MWUDABUKTZAZCX-UHFFFAOYAP |
| SMILES : | CCOC1(CCCCC1)OCC |
| cas number : | 1670-47-9 |
| (EINECS) number : | 216-798-0 |
| fema number : | 4516 |
| molar refractivity : | 49.79 ± 0.4 cm3 |
| parachor : | 437.9 ± 6.0 cm3 |
| index of refraction : | 1.441 ± 0.03 |
| surface tension : | 29.2 ± 5.0 dyne/cm |
| density : | 0.91 ± 0.1 g/cm3 |
| polarizability : | 19.73 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| molecular weight : | 172.2646000 (IUPAC) |
| formula : | C10 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | rhumacetal
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| Sigma-Aldrich-Aldrich : | Cyclohexanone diethyl ketal
97% |
| Vigon : | Rhumacetal
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | fruity liquor rum tobacco woody |
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 : | 0.91200 to 0.91600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.589 to 7.622
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| refractive index : | 1.43400 to 1.43800 @ 20.00 °C.
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| boiling point : | 205.00 to 206.00 °C. @ 760.00 mm Hg
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| boiling point : | 76.00 to 78.00 °C. @ 20.00 mm Hg
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| flash point : | 140.00 °F. TCC ( 60.00 °C. )
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| logP (o/w) : | 2.36 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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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 cyclohexanone 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 : | 5.00000 | 30.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 0.50000 | 3.00000 |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 0.50000 | 2.00000 |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 0.50000 | 2.00000 |
| 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 : | 2.00000 | 30.00000 |
| soft candy : | 0.10000 | 1.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
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| WGK Germany : | 2 |
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| | 1,1-diethoxycyclohexane
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| (EINECS) number : | 216-798-0 |
| chemidplus : | 001670479 |
| EPA Substance Registry Services : | 1670-47-9 |
references :
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| | 1,1-diethoxycyclohexane
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| pubchem : | 216517 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |