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| IUPAC name : | 4-methyl-2-propan-2-yl-1,3-dioxolane |
| InChI : | InChI=1/C7H14O2/c1-5(2)7-8-4-6(3)9-7/h5-7H,4H2,1-3H3 |
| InChIKey : | NWXXKKDLGZLEGH-UHFFFAOYAB |
| SMILES : | CC1COC(O1)C(C)C |
| cas number : | 67879-60-1 |
| (EINECS) number : | 267-550-3 |
| fema number : | 4287 |
| jecfa number : | 1713 |
| fl. number : | 06.093 |
| molar refractivity : | 35.61 ± 0.3 cm3 |
| parachor : | 315.3 ± 6.0 cm3 |
| index of refraction : | 1.412 ± 0.02 |
| surface tension : | 23.7 ± 3.0 dyne/cm |
| density : | 0.910 ± 0.06 g/cm3 |
| polarizability : | 14.12 ± 0.5 10-24cm3 |
| XlogP : | 1.30 |
| XlogP3-AA : | 1.60 |
| molecular weight : | 130.1848600 (IUPAC) |
| formula : | C7 H14 O2 |
| BioActivity Analysis : | 425917 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | isoBUTANAL PG ACETAL
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| Nanjing : | 1,3-dioxolane,4-methyl-2-isopropyl-
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| Prodasynth : | isoBUTYRALDEHYDE PG ACETAL
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organoleptics :
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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 : | 0.90300 to 0.90900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.514 to 7.564
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| refractive index : | 1.40700 to 1.41200 @ 20.00 °C.
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| boiling point : | 142.00 to 143.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | 103.00 °F. TCC ( 39.44 °C. )
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| logP (o/w) : | 1.14 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
| 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 isobutyraldehyde propylene glycol acetal usage levels up to : |
| | not for fragrance use.
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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 : | 15.00000 | 30.00000 |
| beverages(nonalcoholic) : | 5.00000 | 50.00000 |
| beverages(alcoholic) : | 5.00000 | 10.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | 10.00000 | 20.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 5.00000 | 10.00000 |
| fruit ices : | 0.50000 | 2.50000 |
| gelatins / puddings : | 5.00000 | 10.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 20.00000 | 50.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | 1.00000 | 5.00000 |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 5.00000 | 10.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | 10.00000 | 30.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 4-methyl-2-propan-2-yl-1,3-dioxolane
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| (EINECS) number : | 267-550-3 |
| chemidplus : | 067879601 |
| EPA Substance Registry Services : | 67879-60-1 |
| dtp/nci : | 139443 |
references :
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| | 4-methyl-2-propan-2-yl-1,3-dioxolane
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| fl. number : | 06.093 |
| jecfa number : | 1713 |
| NIST Chemistry WebBook : | 3495266610 |
| pubchem : | 675750 |
other :
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