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ethyl (E)-3-hexenoate
General Material Information
| Preferred name | ethyl (E)-3-hexenoate |
| Trivial Name | Ethyl (E)-3-hexenoate |
| Short Description | ethyl trans-3-hexenoate |
| Formula | C8 H14 O2 |
| CAS Number | 26553-46-8 |
| FEMA Number | 3342 |
| ECHA Number | 247-798-9 |
| FDA UNII | U53D99S694 |
| Nikkaji Number | J126.495H |
| MDL | MFCD00036524 |
| xLogP3-AA | 1.90 (est) |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| ethyl (E)-hex-3-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 26553-46-8 |
| Pubchem (cid): | 5362622 |
| Pubchem (sid): | 135017587 |
| Publications by PubMed | |
| Characteristic aroma compounds from different pineapple parts. | |
Other Information
| (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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB32266 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences | EGNO Chimie |
| FCI SAS | Jiangyin Healthway |
| Kingchem Laboratories | Lluch Essence |
| Santa Cruz Biotechnology | Sigma-Aldrich: Aldrich |
| Synerzine | Jiangyin Healthway International Trade Co., Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 142.19798278809 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Boiling Point | 169 to 170°C @ 760 mm Hg |
| Boiling Point | 63 to 64°C @ 12 mm Hg |
| Vapor Pressure | 1.553 mmHg @ 25 °C |
| Flash Point TCC Value | 59.44 °C TCC |
| logP (o/w) | 2.59 est |
| Solubility | |
| alcohol | Yes |
| water, 480.5 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| green, fruity, passion fruit, guava, pineapple, papaya, weedy, honey | |
| Luebke, William tgsc, (2017) | At 100.00 %. sweet green fruity passion fruit guava pineapple papaya weedy honey |
| Flavor Type: Fruity | |
| fruity, green, passion fruit, pineapple, rummy, honey, papaya, weedy | |
| Luebke, William tgsc, (2017) | Sweet fruity green passion fruit pineapple rummy honey papaya weedy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple green apple , Fig , Guava |
| Flavoring purposes | Brandy apple brandy , Brandy , Brandy apricot brandy , Brandy cherry brandy , Brandy grape brandy , Brandy pear brandy , Brandy plum brandy |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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 | |
Safety in use information
| 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: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 4.00000 | |
| beverages(nonalcoholic): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 2.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 2.00000 | |
| 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: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):26553-46-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5362622 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| ethyl (E)-hex-3-enoate |
| Chemidplus:0026553468 |