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| IUPAC name : | 2-hexyl-4,5-dimethyl-1,3-dioxolane |
| InChI : | InChI=1/C11H22O2/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h9-11H,4-8H2,1-3H3 |
| InChIKey : | MTNLKAOONWIMIT-UHFFFAOYAU |
| SMILES : | CCCCCCC1OC(C(O1)C)C |
| cas number : | 6454-22-4 |
| (EINECS) number : | 229-261-0 |
| fema number : | 4048 |
| jecfa number : | 1712 |
| fl. number : | 06.089 |
| molar refractivity : | 54.31 ± 0.3 cm3 |
| parachor : | 491.2 ± 4.0 cm3 |
| index of refraction : | 1.420 ± 0.02 |
| surface tension : | 27.5 ± 3.0 dyne/cm |
| density : | 0.868 ± 0.06 g/cm3 |
| polarizability : | 21.53 ± 0.5 10-24cm3 |
| XlogP : | 3.80 |
| molecular weight : | 186.2911800 |
| formula : | C11 H22 O2 |
| BioActivity Analysis : | 72559 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | dairy fruity |
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 : | 0.87600 to 0.88600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.289 to 7.372
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| refractive index : | 1.42500 to 1.43000 @ 20.00 °C.
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| boiling point : | 101.00 °C. @ 9.00 mm Hg
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| boiling point : | 218.00 to 219.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.19000 mm/Hg @ 25.00 °C. |
| flash point : | 177.00 °F. TCC ( 80.56 °C. )
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| logP (o/w) : | 3.41 |
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 heptanal 2,3-butane 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 : 21 |
| | average usual ppm | average maximum ppm |
| baked goods : | 5.00000 | 10.00000 |
| beverages(nonalcoholic) : | 2.00000 | 4.00000 |
| beverages(alcoholic) : | 2.00000 | 4.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 3.00000 | 6.00000 |
| fruit ices : | - | - |
| gelatins / puddings : | 2.00000 | 4.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 3.00000 | 6.00000 |
| imitation dairy : | 2.00000 | 4.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 2.00000 | 4.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | 2.00000 | 4.00000 |
| soft candy : | 3.00000 | 6.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
| EPA Chem. Sub. Inventory : | Yes |
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| | 2-hexyl-4,5-dimethyl-1,3-dioxolane
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| (EINECS) number : | 229-261-0 |
| chemidplus : | 006454224 |
| EPA Substance Registry Services : | 6454-22-4 |
| dtp/nci : | 6594 |
references :
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| | 2-hexyl-4,5-dimethyl-1,3-dioxolane
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| fl. number : | 06.089 |
| jecfa number : | 1712 |
| pubchem : | 672019 |
other :
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