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| IUPAC name : | ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate |
| InChI : | InChI=1/C9H16O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h7H,4-6H2,1-3H3 |
| InChIKey : | GSIXJEIRJVOUFB-UHFFFAOYAQ |
| SMILES : | CCOC(=O)CC1(OCC(O1)C)C |
| cas number : | 6290-17-1 |
| (EINECS) number : | 228-536-2 |
| fema number : | 4294 |
| jecfa number : | 1715 |
| fl. number : | 06.087 |
| molar refractivity : | 46.73 ± 0.3 cm3 |
| parachor : | 440.8 ± 4.0 cm3 |
| index of refraction : | 1.423 ± 0.02 |
| surface tension : | 33.4 ± 3.0 dyne/cm |
| density : | 1.026 ± 0.06 g/cm3 |
| polarizability : | 18.52 ± 0.5 10-24cm3 |
| XlogP : | 1.00 |
| molecular weight : | 188.2209400 |
| formula : | C9 H16 O4 |
| BioActivity Analysis : | 72512 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Dimethyl Dioxolane
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| IFF : | Fraistone
≥98% (sum of isomers) Odor: A tart, fresh, anisic, fruity note reminiscent of apple, plum and strawberry. |
| Inoue : | ETHYL ACETO ACETATE PG ACETAL
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| John D. Walsh : | Fraistone
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| Moellhausen : | fraistone
97% min. artifical kosher Odor: freshly fruity, reminiscent of apples and strawberries |
| Penta : | ethyl-2,4-dimethyl-1,3-dioxolane-2-acetate
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| Sigma-Aldrich-SAFC : | Ethyl dimethyl dioxolane acetate
mixture of isomers |
| Symrise : | Fragolane®
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| Takasago : | Dimethyl Dioxolan
≥97% min. sum isomers Odor: Fruity,apple, strawberry, sweet |
| Ungerer : | Strawberry Ketal
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description :¹ at 100.00 %. | fresh fruity apple strawberry licorice |
| substantivity : | 12 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03800 to 1.04600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.637 to 8.704
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| specific gravity : | 1.03900 to 1.04700 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.656 to 8.722
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| refractive index : | 1.42500 to 1.43000 @ 20.00 °C.
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| melting point : | -68.00 °C. @ 760.00 mm Hg
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| boiling point : | 110.00 °C. @ 27.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| PH number : | 6.40
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| flash point : | 195.00 °F. TCC ( 90.56 °C. )
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| logP (o/w) : | 1.17 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
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 fruity ketal usage levels up to : |
| | 30.0000 % 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 : | 10.00000 | 50.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 5.00000 | 25.00000 |
| cheese : | 7.00000 | 35.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 5.00000 | 10.00000 |
| confectionery froastings : | 10.00000 | 50.00000 |
| egg products : | - | - |
| fats / oils : | 5.00000 | 25.00000 |
| fish products : | 2.00000 | 10.00000 |
| frozen dairy : | 7.00000 | 35.00000 |
| fruit ices : | 10.00000 | 50.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 20.00000 | 100.00000 |
| hard candy : | - | - |
| imitation dairy : | 7.00000 | 35.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 2.00000 | 10.00000 |
| milk products : | 7.00000 | 35.00000 |
| nut products : | - | - |
| other grains : | 5.00000 | 25.00000 |
| poultry : | 2.00000 | 10.00000 |
| processed fruits : | 7.00000 | 35.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 10.00000 |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | 5.00000 | 10.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 5.00000 | 10.00000 |
safety references :
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| msds : | msds |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
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| (EINECS) number : | 228-536-2 |
| chemidplus : | 006290171 |
| EPA Substance Registry Services : | 6290-17-1 |
| dtp/nci : | 6547 |
references :
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| | ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
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| fl. number : | 06.087 |
| jecfa number : | 1715 |
| NIST Chemistry WebBook : | 6290171 |
| pubchem : | 672544 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (2001)¹ |
| CosIng : | cosmetic data |
| | C of A |