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| IUPAC name : | 2-methyl-4-pentyl-1,3-dioxane |
| InChI : | InChI=1/C10H20O2/c1-3-4-5-6-10-7-8-11-9(2)12-10/h9-10H,3-8H2,1-2H3 |
| InChIKey : | NZTUUEJEMACERX-UHFFFAOYAD |
| SMILES : | CCCCCC1CCOC(O1)C |
| cas number : | 202188-43-0 |
| fema number : | 4376 |
| jecfa number : | 1749 |
| molar refractivity : | 49.59 ± 0.3 cm3 |
| parachor : | 452.1 ± 4.0 cm3 |
| index of refraction : | 1.420 ± 0.02 |
| surface tension : | 28.5 ± 3.0 dyne/cm |
| density : | 0.880 ± 0.06 g/cm3 |
| polarizability : | 19.65 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| XlogP3-AA : | 3.00 |
| molecular weight : | 172.2646000 (IUPAC) |
| formula : | C10 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | green |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | green ethereal |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90000 to 0.90600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.489 to 7.539
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| refractive index : | 1.42900 to 1.43300 @ 20.00 °C.
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| boiling point : | 219.00 to 220.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | 166.00 °F. TCC ( 74.44 °C. )
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| logP (o/w) : | 2.67 |
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 acetaldehyde 1,3-octane diol acetal usage levels up to : |
| | 3.0000 % 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 : 23 |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 0.20000 | 1.00000 |
| beverages(alcoholic) : | 0.40000 | 2.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | 0.50000 | 2.50000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 1.00000 | 5.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | 0.50000 | 2.50000 |
| 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 : | - | - |
safety references :
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| EPI System : | view |
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| | 2-methyl-4-pentyl-1,3-dioxane
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| chemidplus : | 202188-43-0 |
| EPA Substance Registry Services : | 202188-43-0 |
references :
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| | 2-methyl-4-pentyl-1,3-dioxane
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| jecfa number : | 1749 |
| pubchem : | 42160746 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |