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| IUPAC name : | 2,4-dipentyl-1,3-dioxane |
| InChI : | InChI=1/C14H28O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h13-14H,3-12H2,1-2H3 |
| InChIKey : | JTGGXBHDIVDFHP-UHFFFAOYAO |
| SMILES : | CCCCCC1CCOC(CCCCC)O1 |
| cas number : | 202188-46-3 |
| fema number : | 4377 |
| jecfa number : | 1736 |
| molar refractivity : | 68.10 ± 0.3 cm3 |
| parachor : | 616.3 ± 4.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 30.2 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 27.00 ± 0.5 10-24cm3 |
| molecular weight : | 228.3709200 |
| formula : | C14 H28 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | fatty |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | fatty green |
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 : | 0.86900 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 : | 1.42500 to 1.43200 @ 20.00 °C.
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| boiling point : | 287.00 to 288.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.79 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 228.00 °F. TCC ( 108.89 °C. )
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| recommendation for hexanal octane-1,3-diol 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). |
| publication number : 23. |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 0.30000 | 1.50000 |
| beverages(alcoholic) : | 0.50000 | 2.50000 |
| 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 : | 1.50000 | 7.50000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | 0.80000 | 4.00000 |
| 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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| | 2,4-dipentyl-1,3-dioxane
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| chemidplus : | 202188-46-3 |
| EPA Substance Registry Services : | 202188-46-3 |
| NLM Chemical Carcinogenesis Research Information System : | 202188-46-3 |
| NLM Developmental and Reproductive Toxicity : | 202188-46-3 |
| NLM Env. Mutagen Info. Center : | 202188-46-3 |
| NLM GENetic TOXicology : | 202188-46-3 |
references :
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| | 2,4-dipentyl-1,3-dioxane
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| jecfa number : | 1736 |
| pubchem : | 202188-46-3 |
other :
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