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methyl (E)-3-hexenoate
General Material Information
| Preferred name | methyl (E)-3-hexenoate |
| Trivial Name | Methyl (E)-3-hexenoate |
| Short Description | methyl trans-3-hexenoate |
| Formula | C7 H12 O2 |
| CAS Number | 13894-61-6 |
| FEMA Number | 3364 |
| ECHA Number | 237-662-7 |
| FDA UNII | 7IP0T834PB |
| Nikkaji Number | J126.493A |
| MDL | MFCD00672771 |
| xLogP3-AA | 1.50 (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
| methyl (E)-hex-3-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 13894-61-6 |
| Pubchem (cid): | 5362782 |
| Pubchem (sid): | 135017586 |
| Publications by Perfumer & Flavorist | |
| Organoleptic Characteristics of Flavor Materials | |
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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB008095 |
| Export Tariff Code: | 2916.19.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Bedoukian Research | BOC Sciences |
| FCI SAS | Kingchem Laboratories |
| Sigma-Aldrich: Aldrich | Synerzine |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 128.1710357666 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.522 to 7.689 |
| Refractive Index | 1.42 to 1.44 @ 20 °C |
| Boiling Point | 145 to 146°C @ 760 mm Hg |
| Vapor Pressure | 4.782 mmHg @ 25 °C |
| Flash Point TCC Value | 64.44 °C TCC |
| logP (o/w) | 2.059 est |
| Solubility | |
| alcohol | Yes |
| water, 1439 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| green, honey, fruity, hyacinth, cortex, papaya, guava, pineapple, tropical, sharp, sweet, fresh, apple, pear, floral | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | > 1 hour(s) at 100.00 % |
| Luebke, William tgsc, (2017) | At 100.00 %. sweet green honey fruity hyacinth cortex papaya guava pineapple tropical |
| Mosciano, Gerard, (2009) | At 1.00 %. sharp, sweet green, fresh, fruity apple and pear with a slight floral nuance |
| Flavor Type: Green | |
| green, fruity, tropical, guava, pineapple, papaya, honey, cortex, sharp, apple, astringent | |
| Luebke, William tgsc, (2017) | Green fruity tropical guava pineapple papaya honey cortex |
| Mosciano, Gerard, (2009) | At 5.00 ppm. Sharp, green, unripe fruity pineapple and apple like with a slight astringent aftertaste |
| Would do well in a pineapple, grape or banana flavor. | Green |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Banana , Fruit , Grape , Honey , Pineapple |
| Flavoring purposes | Cheese , Tropical |
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 | |||
| Recommendation for methyl (E)-3-hexenoate usage levels up to: | |||
| 5.0000 % 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: 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):13894-61-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5362782 |
| National Institute of Allergy and Infectious Diseases:Data |
| methyl (E)-hex-3-enoate |
| Chemidplus:0013894616 |