| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 38205-60-6 |
| ECHA EC Number: | 253-826-0 |
| FDA UNII: | PD36FU2WGY |
| CoE Number: | 2336 |
| Category: | flavoring agents |
| IUPAC Name: | nutty thiazole |
| InChI : | InChI=1/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3 |
| Std.InChI: | InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3 |
| InChIKey : | BLQOKWQUTLNKON-UHFFFAOYAT |
| Std.InChIKey: | BLQOKWQUTLNKON-UHFFFAOYSA-N |
| SMILES : | CC1=C(SC(=N1)C)C(=O)C |
| MDL: | MFCD00005331 |
| Molar Refractivity : | 42.40 ± 0.3 cm3 (est) |
| Parachor : | 345.0 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.534 ± 0.02 (est) |
| Surface Tension : | 41.1 ± 3.0 dyne/cm (est) |
| Density : | 1.139 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.81 ± 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: | 1055 2,4-dimethyl-5-acetylthiazole |
| DG SANTE Food Flavourings: | 15.011 2,4-dimethyl-5-acetylthiazole |
| FEMA Number: | 3267 2,4-dimethyl-5-acetylthiazole |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 38205-60-6 ; 2,4-DIMETHYL-5-ACETYLTHIAZOLE |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.15000 to 1.15500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.569 to 9.611 |
| Specific Gravity: | 1.14700 to 1.15200 @ 25.00 °C. |
| Pounds per Gallon - est.: | 9.544 to 9.586 |
| Refractive Index: | 1.54200 to 1.54400 @ 20.00 °C. |
| Refractive Index: | 1.53600 to 1.54700 @ 20.00 °C. |
| Boiling Point: | 228.00 to 230.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 79.00 °C. @ 1.80 mm Hg |
| Vapor Pressure: | 0.071000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 5.3 ( Air = 1 ) |
| Flash Point: | 152.00 °F. TCC ( 66.67 °C. ) |
| logP (o/w): | 1.008 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 2223 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. 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 37/39 - Wear suitable 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: | |
| gavage-mouse LD50 [sex: M,F] 975 mg/kg (Moran et al., 1980) gavage-mouse LD50 [sex: M,F] M:610 F:620 mg/kg (Shellenberger, 1971d) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| Recommendation for nutty thiazole usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 2.00 (μg/capita/day) | ||
| Structure Class: | III | ||
| 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: 5 | |||
| Click here to view publication 5 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 6.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 10.00000 | |
| fruit ices: | - | 10.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 10.00000 | |
| hard candy: | - | 10.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 10.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 10.00000 | |
| 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 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 76, Revision 1 (FGE.76Rev1): Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 and miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21Rev3 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :520888 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone |
| Chemidplus:0038205606 |
| 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 38205-60-6 |
| Pubchem (cid): | 520888 |
| Pubchem (sid): | 135264436 |
| (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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB41484 |
| FooDB: | FDB021449 |
| Export Tariff Code: | 2934.10.9000 |
| ChemSpider: | View |
| not found in nature |
| 5- | acetyl-2,4-dimethyl thiazole |
| 5- | acetyl-2,4-dimethyl-1,3-thiazole |
| 5- | acetyl-2,4-dimethylthiazole |
| 2,4- | dimethyl 5-acetyl thiazole |
| 1-(2,4- | dimethyl thiazol-5-yl) ethan-1-one |
| 1-(2,4- | dimethyl-1,3-thiazol-5-yl)ethan-1-one |
| 1-(2,4- | dimethyl-1,3-thiazol-5-yl)ethanone |
| 2,4- | dimethyl-5-acetyl thiazole |
| 2,4- | dimethyl-5-acetylthiazole |
| 1-(2,4- | dimethyl-5-thiazolyl)ethanone |
| 2,4- | dimethyl-5-thiazoyl methyl ketone |
| 1-(2,4- | dimethylthiazol-5-yl)ethan-1-one |
| 1-(2,4- | dimethylthiazol-5-yl)ethanone |
| ethanone, 1-(2,4-dimethyl-5-thiazolyl)- | |
| ketone, 2,4-dimethyl-5-thiazolyl methyl |
| None found yet. Try the PubMed Search. |
