| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 53833-30-0 |
| ECHA EC Number: | 258-815-4 |
| FDA UNII: | 0W53S23NG4 |
| Category: | flavoring agents |
| IUPAC Name: | 2-ethyl-4,5-dimethyl oxazole |
| InChI : | InChI=1/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3 |
| Std.InChI: | InChI=1S/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3 |
| InChIKey : | LCYOFVYHDBWYSI-UHFFFAOYAV |
| Std.InChIKey: | LCYOFVYHDBWYSI-UHFFFAOYSA-N |
| SMILES : | CCC1=NC(=C(O1)C)C |
| MDL: | MFCD00036664 |
| Molar Refractivity : | 35.84 ± 0.3 cm3 (est) |
| Parachor : | 307.2 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.460 ± 0.02 (est) |
| Surface Tension : | 30.4 ± 3.0 dyne/cm (est) |
| Density : | 0.956 ± 0.06 g/cm3 (est) |
| Polarizability : | 14.20 ± 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: | 1555 2-ethyl-4,5-dimethyloxazole |
| DG SANTE Food Flavourings: | 13.091 4,5-dimethyl-2-ethyloxazole |
| FEMA Number: | 3672 2-ethyl-4,5-dimethyloxazole |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 53833-30-0 ; 2-ETHYL-4,5-DIMETHYLOXAZOLE |
| Appearance: | colorless to yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93800 to 0.94800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.805 to 7.888 |
| Refractive Index: | 1.44100 to 1.45100 @ 20.00 °C. |
| Boiling Point: | 60.00 °C. @ 18.00 mm Hg |
| Boiling Point: | 137.00 °C. @ 732.00 mm Hg |
| Vapor Pressure: | 2.359000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.3 ( Air = 1 ) |
| Flash Point: | 112.00 °F. TCC ( 44.44 °C. ) |
| logP (o/w): | 1.715 (est) |
| Soluble in: | |
| alcohol | |
| water, 949.3 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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 2-ethyl-4,5-dimethyl oxazole usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.026 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.70 (μg/capita/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.50000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 0.50000 | |
| cheese: | - | - | |
| chewing gum: | - | 2.50000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 1.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | 0.50000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | 0.20000 | |
| jams / jellies: | - | - | |
| meat products: | - | 0.50000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 1.00000 | |
| soups: | - | 0.20000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 85: Consideration of miscellaneous nitrogen-containing substances evaluated by JECFA (65th meeting)[1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):53833-30-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62069 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:3 |
| 2-ethyl-4,5-dimethyl-1,3-oxazole |
| Chemidplus:0053833300 |
| 2-ethyl-4,5-dimethyl-1,3-oxazole | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 53833-30-0 |
| Pubchem (cid): | 62069 |
| Pubchem (sid): | 135020942 |
| (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): | HMDB37865 |
| FooDB: | FDB017018 |
| Export Tariff Code: | 2934.99.9090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| 4,5- | dimethyl-2-ethyl oxazole |
| 4,5- | dimethyl-2-ethyloxazole |
| 2- | ethyl 4,5-dimethyl oxazole |
| 2- | ethyl-4,5-dimethyl-1,3-oxazole |
| 2- | ethyl-4,5-dimethyloxazole |
| oxazole, 2-ethyl-4,5-dimethyl- |
