| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 18640-74-9 |
| ECHA EC Number: | 242-470-1 |
| FDA UNII: | 7N03TDY75D |
| CoE Number: | 11618 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | 2-isobutyl thiazole |
| InChI : | InChI=1/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3 |
| Std.InChI: | InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3 |
| InChIKey : | CMPVUVUNJQERIT-UHFFFAOYAI |
| Std.InChIKey: | CMPVUVUNJQERIT-UHFFFAOYSA-N |
| SMILES : | CC(C)CC1=NC=CS1 |
| MDL: | MFCD00005334 |
| Molar Refractivity : | 41.50 ± 0.3 cm3 (est) |
| Parachor : | 338.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.511 ± 0.02 (est) |
| Surface Tension : | 35.6 ± 3.0 dyne/cm (est) |
| Density : | 1.020 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.45 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| 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: | 1034 2-isobutylthiazole |
| DG SANTE Food Flavourings: | 15.013 2-isobutylthiazole |
| FEMA Number: | 3134 2-isobutylthiazole |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99500 to 0.99530 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.279 to 8.282 |
| Specific Gravity: | 1.00000 to 1.00400 @ 20.00 °C. |
| Pounds per Gallon - est.: | 8.331 to 8.364 |
| Refractive Index: | 1.49400 to 1.49800 @ 20.00 °C. |
| Refractive Index: | 1.49000 to 1.49900 @ 20.00 °C. |
| Boiling Point: | 174.00 to 180.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.091000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.8 ( Air = 1 ) |
| Flash Point: | 135.00 °F. TCC ( 57.22 °C. ) |
| logP (o/w): | 1.715 (est) |
| Soluble in: | |
| alcohol | |
| water, 255.2 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| stable in most media | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 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: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 2-isobutyl thiazole usage levels up to: | |||
| 0.0800 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.40 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | 1.00000 | |
| hard candy: | - | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 1.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | 1.00000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 1.00000 | |
| 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 the safety and efficacy of thiazoles, thiophene, thiazoline and thienyl derivatives (chemical group 29): 3-acetyl-2,5-dimethylthiophene when used as a flavouring for all animal species 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 |
| Safety and efficacy of thiazoles, thiophene and thiazoline belonging to chemical group 29 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):18640-74-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62725 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:3 |
| 2-(2-methylpropyl)-1,3-thiazole |
| Chemidplus:0018640749 |
| RTECS:XJ5103412 for cas# 18640-74-9 |
| 2-(2-methylpropyl)-1,3-thiazole | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 18640-74-9 |
| Pubchem (cid): | 62725 |
| Pubchem (sid): | 135021306 |
| Flavornet: | 18640-74-9 |
| Pherobase: | View |
| (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): | HMDB31862 |
| FooDB: | FDB008546 |
| YMDB (Yeast Metabolome Database): | YMDB01585 |
| Export Tariff Code: | 2934.10.0090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| 2-iso | butyl-1,3-thiazole |
| iso | butyl-2 thiazole |
| 2-iso | butylthiazole |
| iso | butylthiazole |
| 2-(2- | methyl propyl) thiazole |
| 2-(2- | methylpropyl)-1,3-thiazole |
| 2-(2- | methylpropyl)thiazole |
| thiazole, 2-(2-methylpropyl)- | |
| thiazole, 2-isobutyl- | |
| thiazyl (PFW) | |
| thiazyl 1% DPG (PFW) | |
| thiazyl 1% in DPG (PFW) | |
| tomato leaf thiazole |
