| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 5413-49-0 |
| FDA UNII: | TTE06DHT5Y |
| Category: | flavoring agents |
| IUPAC Name: | ethyl levulinate propylene glycol ketal |
| InChI : | InChI=1/C10H18O4/c1-4-12-9(11)5-6-10(3)13-7-8(2)14-10/h8H,4-7H2,1-3H3 |
| Std.InChI: | InChI=1S/C10H18O4/c1-4-12-9(11)5-6-10(3)13-7-8(2)14-10/h8H,4-7H2,1-3H3 |
| InChIKey : | IAZAUEBWBHMDGV-UHFFFAOYAV |
| Std.InChIKey: | IAZAUEBWBHMDGV-UHFFFAOYSA-N |
| SMILES : | CCOC(=O)CCC1(OCC(O1)C)C |
| Molar Refractivity : | 51.36 ± 0.3 cm3 (est) |
| Parachor : | 480.6 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.427 ± 0.02 (est) |
| Surface Tension : | 33.4 ± 3.0 dyne/cm (est) |
| Density : | 1.012 ± 0.06 g/cm3 (est) |
| Polarizability : | 20.36 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1973 ethyl levulinate propyleneglycol ketal |
| FEMA Number: | 4479 ethyl levulinate propyleneglycol ketal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 5413-49-0 ; ETHYL LEVULINATE PROPYLENEGLYCOL KETAL |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.02700 to 1.03500 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.556 to 8.622 |
| Refractive Index: | 1.42700 to 1.43400 @ 20.00 °C. |
| Boiling Point: | 240.00 to 245.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.038000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 206.00 °F. TCC ( 96.80 °C. ) (est) |
| logP (o/w): | 1.380 (est) |
| Soluble in: | |
| alcohol | |
| water, 479 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | solvents |
| Inoue Perfumery |
| ETHYL LEVULINATE PG ACETAL |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| Recommendation for ethyl levulinate propylene glycol ketal usage levels up to: | |||
| not for fragrance use. | |||
| 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 Flavor Ingredient Library | |||
| publication number: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 200.00000 | |
| beverages(nonalcoholic): | 1.00000 | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 100.00000 | 500.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | 10.00000 | 50.00000 | |
| fish products: | - | - | |
| frozen dairy: | 5.00000 | 50.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 2.00000 | 20.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 10.00000 | 100.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 10.00000 | 50.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):5413-49-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :221634 |
| National Institute of Allergy and Infectious Diseases:Data |
| ethyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoate |
| Chemidplus:0005413490 |
| ethyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 221634 |
| Pubchem (sid): | 72528 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
| FAO: | Ethyl levulinate propyleneglycol ketal |
| None Found |
| None Found |
| not found in nature |
| 1,3- | dioxolane-2-propanoic acid, 2,4-dimethyl-, ethyl ester |
| 1,3- | dioxolane-2-propionic acid, 2,4-dimethyl-, ethyl ester |
| ethyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl) propanoate | |
| ethyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoate | |
| ethyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propionate | |
| ethyl levulinate propyleneglycol ketal | |
| 2- | methyl-1,3-dioxane-2-propanoic acid ethyl ester |
| None found yet. Try the PubMed Search. |
