| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 94159-31-6 |
| ECHA EC Number: | 303-209-8 |
| FDA UNII: | 27MC9Q333F |
| Category: | flavor and fragrance agents |
| IUPAC Name: | sulfuryl butyrate |
| InChI : | InChI=1/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3 |
| Std.InChI: | InChI=1S/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3 |
| InChIKey : | GDRZNYCKSKHESZ-UHFFFAOYAJ |
| Std.InChIKey: | GDRZNYCKSKHESZ-UHFFFAOYSA-N |
| SMILES : | CCCC(=O)OCCC1=C(N=CS1)C |
| MDL: | MFCD09032913 |
| Molar Refractivity : | 57.40 ± 0.3 cm3 (est) |
| Parachor : | 482.6 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.513 ± 0.02 (est) |
| Surface Tension : | 41.0 ± 3.0 dyne/cm (est) |
| Density : | 1.118 ± 0.06 g/cm3 (est) |
| Polarizability : | 22.75 ± 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: | 1753 2-(4-methyl-5-thiazolyl)ethyl butanoate |
| FEMA Number: | 4277 2-(4-methyl-5-thiazolyl)ethyl butanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 94159-31-6 ; 2-(4-METHYL-5-THIAZOLYL)ETHYL BUTANOATE |
| Appearance: | colorless to yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.10600 to 1.11200 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.203 to 9.253 |
| Refractive Index: | 1.49600 to 1.51000 @ 20.00 °C. |
| Boiling Point: | 101.00 to 107.00 °C. @ 1.00 mm Hg |
| Boiling Point: | 307.00 to 308.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 283.00 °F. TCC ( 139.44 °C. ) |
| logP (o/w): | 2.003 (est) |
| Soluble in: | |
| alcohol | |
| water, 83.85 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Preferred SDS: View | |
| 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 | |||
| 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: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 2.70000 | 2.70000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | 2.00000 | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | 2.70000 | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 :3023838 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate |
| Chemidplus:0094159316 |
| 2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3023838 |
| Pubchem (sid): | 135217610 |
| (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): | HMDB32418 |
| FooDB: | FDB009861 |
| Export Tariff Code: | 2934.10.2000 |
| ChemSpider: | View |
| None Found |
| not found in nature |
| butanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester | |
| 2-(4- | methyl thiazol-5-yl) ethyl butyrate |
| 2-(4- | methyl-1,3-thiazol-5-yl)ethyl butanoate |
| 2-(4- | methyl-1,3-thiazol-5-yl)ethyl butyrate |
| 2-(4- | methyl-5-thiazolyl) ethyl butyrate |
| 2-(4- | methyl-5-thiazolyl)ethyl butanoate |
| 2-(4- | methyl-5-thiazolyl)ethyl butyrate |
| 4- | methyl-5-thiazolylethanyl butyrate |
| 2-(4- | methylthiazol-5-yl)ethyl butyrate |
| surfurol butyrate |
| None found yet. Try the PubMed Search. |
