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| IUPAC name : | 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol |
| InChI : | InChI=1/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3 |
| InChIKey : | JZJHVHUFPUYAJF-UHFFFAOYAT |
| SMILES : | Oc1ccc(cc1OC)C2OC(C)C(C)O2 |
| cas number : | 63253-24-7 |
| fema number : | 4023 |
| jecfa number : | 960 |
| fl. number : | 06.132 |
| molar refractivity : | 59.46 ± 0.3 cm3 |
| parachor : | 493.0 ± 4.0 cm3 |
| index of refraction : | 1.514 ± 0.02 |
| surface tension : | 38.9 ± 3.0 dyne/cm |
| density : | 1.136 ± 0.06 g/cm3 |
| polarizability : | 23.57 ± 0.5 10-24cm3 |
| molecular weight : | 224.2530400 (IUPAC) |
| formula : | C12 H16 O4 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Penta : | vanillin 1,2-butylene glycol acetal
(erythro and threo) |
| Vigon : | Vanillin Butylene Glycol Acetal
Odor: VANILLA |
organoleptics :
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| odor type : | vanilla |
| odor strength : | medium |
odor description :
at 100.00 %. | vanilla |
properties :
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| appearence : | white to pale yellow solid or viscous liquid |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.16000 to 1.18000 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.652 to 9.819
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| refractive index : | 1.52700 to 1.53700 @ 20.00 °C.
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| melting point : | 48.00 to 52.00 °C. @ 760.00 mm Hg
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| boiling point : | 324.00 to 326.00 °C. @ 760.00 mm Hg
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| flash point : | 316.00 °F. TCC ( 157.78 °C. )
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| logP (o/w) : | 1.58 |
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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 3.40 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 3.00 (μg/capita/day) |
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| recommendation for vanillin 1,2-butylene glycol acetal (erythro and threo) 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 : 20 |
| | average usual ppm | average maximum ppm |
| baked goods : | 200.00000 | 400.00000 |
| beverages(nonalcoholic) : | 60.00000 | 120.00000 |
| beverages(alcoholic) : | 60.00000 | 120.00000 |
| breakfast cereal : | 180.00000 | 300.00000 |
| cheese : | - | - |
| chewing gum : | 250.00000 | 500.00000 |
| condiments / relishes : | 60.00000 | 120.00000 |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 80.00000 | 160.00000 |
| fruit ices : | - | - |
| gelatins / puddings : | 100.00000 | 200.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 150.00000 | 280.00000 |
| imitation dairy : | 60.00000 | 120.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 60.00000 | 120.00000 |
| nut products : | 60.00000 | 120.00000 |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | 60.00000 | 120.00000 |
| soft candy : | 120.00000 | 240.00000 |
| soups : | 60.00000 | 120.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
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| | 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
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| chemidplus : | 63253-24-7 |
| EPA Substance Registry Services : | 63253-24-7 |
references :
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| | 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
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| fl. number : | 06.132 |
| jecfa number : | 960 |
| pubchem : | 63253-24-7 |
other :
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