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(E)-2-hexen-1-yl valerate
General Material Information
| Preferred name | (E)-2-hexen-1-yl valerate |
| Trivial Name | trans-2-Hexenyl valerate |
| Short Description | trans-2-hexenyl pentanoate |
| Formula | C11 H20 O2 |
| CAS Number | 56922-74-8 |
| FEMA Number | 3935 |
| ECHA Number | 260-439-0 |
| FDA UNII | NQO2JJ740G |
| Nikkaji Number | J184.193I |
| MDL | MFCD00036547 |
| xLogP3-AA | 3.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1379 trans-2-hexenyl pentanoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 56922-74-8 ; (E)-2-HEXENYL VALERATE |
| 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 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB38273 |
| FooDB: | FDB017571 |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Lluch Essence |
| Parchem | Penta International |
| TCI AMERICA | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 184.27879333496 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.264 to 7.314 |
| Refractive Index | 1.431 to 1.438 @ 20 °C |
| Acid Value | 3 max KOH/g |
| Vapor Pressure | 0.0464 mmHg @ 25 °C |
| Flash Point TCC Value | 76.67 °C TCC |
| logP (o/w) | 4.17 |
| Solubility | |
| alcohol | Yes |
| water, 16.97 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| green, fruity, apple, banana, pineapple, cognac, estery, banana unripe banana, winey | |
| General comment | At 10.00 % in dipropylene glycol. green fruity apple banana pineapple cognac |
| Mosciano, Gerard P&F 25, No. 5, 72, (2000) | At 1.00 %. Green, estry, fruity, apple, green banana and pineapple with slight cognac and winey nuances |
| Flavor Type: Green | |
| waxy, green, fruity, apple, pear, pineapple, floral | |
| Mosciano, Gerard P&F 25, No. 5, 72, (2000) | At 1.00 - 10.00 ppm. Waxy green fruity apple, pear and pineapple with a slight waxy floral aftertaste |
| Useful in pineapple, apple, and tropical flavors. | Fruity |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Fruit |
| Flavoring purposes | Apple , Apricot , Banana , Brandy , Butter , Cognac , Peach , Pear , Pineapple , Rum , Wine |
| 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 | |||
| Recommendation for (E)-2-hexen-1-yl valerate 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: 19 | |||
| Click here to view publication 19 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 7.00000 | 11.00000 | |
| beverages(nonalcoholic): | 2.50000 | 4.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 4.00000 | 7.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 5.00000 | 7.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 8.00000 | 9.00000 | |
| 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: | 6.00000 | 9.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):56922-74-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5352974 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [(E)-hex-2-enyl] pentanoate |
| Chemidplus:0056922748 |
| RTECS:SA3697500 for cas# 56922-74-8 |