| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 1540-29-0 |
| ECHA EC Number: | 216-271-5 |
| FDA UNII: | CKN84UW7SK |
| Category: | flavor and fragrance agents |
| IUPAC Name: | ethyl 2-acetyl hexanoate |
| InChI : | InChI=1/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3 |
| Std.InChI: | InChI=1S/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3 |
| InChIKey : | ZTOQBHVLCJERBS-UHFFFAOYAC |
| Std.InChIKey: | ZTOQBHVLCJERBS-UHFFFAOYSA-N |
| SMILES : | CCCCC(C(=O)C)C(=O)OCC |
| MDL: | MFCD00026888 |
| Molar Refractivity : | 50.14 ± 0.3 cm3 (est) |
| Parachor : | 457.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.428 ± 0.02 (est) |
| Surface Tension : | 30.4 ± 3.0 dyne/cm (est) |
| Density : | 0.957 ± 0.06 g/cm3 (est) |
| Polarizability : | 19.87 ± 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: | 1953 ethyl 2-acetylhexanoate |
| FEMA Number: | 4452 ethyl 2-acetylhexanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1540-29-0 ; ETHYL 2-ACETYLHEXANOATE |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| Ethyl2-n-butylacetoacetate |
| Matrix Scientific |
| For experimental / research use only. |
| Ethyl 2-acetylhexanoate |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Ethyl 2-butylacetoacetate |
| TCI AMERICA |
| For experimental / research use only. |
| Ethyl 2-Butylacetoacetate >95.0%(GC) |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| 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 | |||
| Recommendation for ethyl 2-acetyl hexanoate usage levels up to: | |||
| 2.0000 % 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 5.00000 | 50.00000 | |
| beverages(nonalcoholic): | 1.00000 | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 5.00000 | 50.00000 | |
| 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: | - | - | |
| 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 :95466 |
| National Institute of Allergy and Infectious Diseases:Data |
| ethyl 2-acetylhexanoate |
| Chemidplus:0001540290 |
| ethyl 2-acetylhexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 95466 |
| Pubchem (sid): | 135053811 |
| (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): | Search |
| Export Tariff Code: | 2918.30.9000 |
| ChemSpider: | View |
| FAO: | Ethyl 2-acetylhexanoate |
| None Found |
| None Found |
| not found in nature |
| alpha- | acetyl caproic acid ethyl ester |
| 2- | acetyl hexanoic acid ethyl ester |
| 2- | acetyl-hexanoic acid ethyl ester |
| alpha- | acetylcaproic acid ethyl ester |
| 2- | acetylhexanoic acid ethyl ester |
| 2- | butylacetoacetic acid ethyl ester |
| ethyl .alpha.-butylacetoacetate | |
| ethyl 2-acetocaproate | |
| ethyl 2-acetylhexanoate | |
| ethyl 2-butylacetoacetate | |
| hexanoic acid, 2-acetyl-, ethyl ester | |
| hexanoic acid,2-acetyl-, ethyl ester |
| None found yet. Try the PubMed Search. |
