| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 77-70-3 |
| ECHA EC Number: | 201-050-8 |
| FDA UNII: | FGG7G355MX |
| Category: | flavor and fragrance agents |
| IUPAC Name: | ethyl 2-hydroxy-2-methyl butyrate |
| InChI : | InChI=1/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3 |
| Std.InChI: | InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3 |
| InChIKey : | KIYWRWLZHQZKKD-UHFFFAOYAV |
| Std.InChIKey: | KIYWRWLZHQZKKD-UHFFFAOYSA-N |
| SMILES : | CCC(C)(C(=O)OCC)O |
| Molar Refractivity : | 37.75 ± 0.3 cm3 (est) |
| Parachor : | 347.2 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.433 ± 0.02 (est) |
| Surface Tension : | 32.7 ± 3.0 dyne/cm (est) |
| Density : | 1.007 ± 0.06 g/cm3 (est) |
| Polarizability : | 14.96 ± 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: | 1651 (+/-)-ethyl 2-hydroxy-2-methylbutyrate |
| FEMA Number: | 4268 (+/-)-ethyl 2-hydroxy-2-methylbutyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 77-70-3 ; (+/-)-ETHYL 2-HYDROXY-2-METHYLBUTYRATE |
| None found |
| Axsyn |
| For experimental / research use only. |
| Butanoic acid,2-hydroxy-2-methyl-, ethyl ester |
| Endeavour Specialty Chemicals |
| Ethyl 2-hydroxy-2-methylbutyrate |
| Speciality Chemical Product Groups |
| R C Treatt & Co Ltd |
| Ethyl 2-hydroxy-2-methylbutyrate Kosher |
| Robinson Brothers |
| Ethyl 2-hydroxy-2-methylbutyrate |
| https://www.robinsonbrothers.uk/chemistry-competences |
| 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: | |||
| 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 ethyl 2-hydroxy-2-methyl butyrate usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| 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: | - | - | |
| beverages(nonalcoholic): | 10.00000 | 25.00000 | |
| beverages(alcoholic): | 10.00000 | 25.00000 | |
| breakfast cereal: | 10.00000 | 30.00000 | |
| cheese: | - | - | |
| chewing gum: | 20.00000 | 100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 5.00000 | 20.00000 | |
| fruit ices: | 5.00000 | 20.00000 | |
| gelatins / puddings: | 10.00000 | 25.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 20.00000 | 50.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 10.00000 | 25.00000 | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 5.00000 | 20.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 10.00000 | 25.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):77-70-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :101536 |
| National Institute of Allergy and Infectious Diseases:Data |
| ethyl 2-hydroxy-2-methylbutanoate |
| Chemidplus:0000077703 |
| ethyl 2-hydroxy-2-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 77-70-3 |
| Pubchem (cid): | 101536 |
| Pubchem (sid): | 135058511 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB32269 |
| FooDB: | FDB009393 |
| Export Tariff Code: | 2918.19.9890 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| butanoic acid, 2-hydroxy-2-methyl-, ethyl ester | |
| butanoic acid,2-hydroxy-2-methyl-, ethyl ester | |
| 4- | ethoxy-2-pyridinecarboxylic acid ethyl ester |
| (±)- | ethyl 2-hydroxy-2-methyl butyrate |
| ethyl 2-hydroxy-2-methylbutanoate | |
| ethyl 2-hydroxy-2-methylbutyrate | |
| (+/-)- | ethyl 2-hydroxy-2-methylbutyrate |
| (±)- | ethyl 2-hydroxy-2-methylbutyrate |
| 2- | hydroxy-2-methyl butanoic acid ethyl ester |
| None found yet. Try the PubMed Search. |
