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(E)-2-hexenoic acid
General Material Information
| Preferred name | (E)-2-hexenoic acid |
| Trivial Name | trans-2-Hexenoic acid |
| Short Description | trans-2-hexenoic acid |
| Formula | C6 H10 O2 |
| CAS Number | 13419-69-7 |
| FEMA Number | 3169 |
| Flavis Number | 8.054 |
| ECHA Number | 236-528-5 |
| FDA UNII | VQ24908VRU |
| Nikkaji Number | J98.002A |
| Beilstein Number | 1720443 |
| MDL | MFCD00002705 |
| COE Number | 11777 |
| xLogP3-AA | 1.60 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1361 trans-2-hexenoic acid |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 13419-69-7 ; TRANS-2-HEXENOIC ACID |
| 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
| (E)-hex-2-enoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 13419-69-7 |
| Pubchem (cid): | 5282707 |
| Pubchem (sid): | 134980812 |
| Flavornet: | 13419-69-7 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB10719 |
| FooDB: | FDB008086 |
| Export Tariff Code: | 2916.19.3000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 114.14409637451 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.972 to 8.055 |
| Refractive Index | 1.485 to 1.505 @ 20 °C |
| Melting Point | 28 to 34°C @ 760 mm Hg |
| Vapor Pressure | 0.054 mmHg @ 25 °C |
| Vapor Density | 3.9 |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 1.677 est |
| Solubility | |
| alcohol | Yes |
| propylene glycol | Yes |
| water, slightly | Yes |
| water, 7069 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, sweet, warm, herbal | |
| Odor strength | medium , recommend smelling in a 1.00 % solution or less |
| Substantivity | > 4 hour(s) at 100.00 % |
| General comment | At 1.00 % in propylene glycol. powerful fruity sweet warm herbal |
| Flavor Type: Acidic | |
| acidic, cheesy, fruity, sweet | |
| General comment | Acidic cheesy fruity sweet |
| Sharp acidic backnotes of all types of fruits, especially raspberry and strawberry, pineapple, apple, aged cheeses, and other dairy applications. | Strong acidic, cheesy character. |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Fruit |
| Flavoring purposes | Apple , Banana , Caramel , Cheese , Grape , Herbal , Pork , Strawberry |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| C - Corrosive. | |
| R 34 - Causes burns. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 27 - Take off immediately all contaminated clothing. S 28 - After contact with skin, wash immediately with plenty of water. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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: | |||
| flavoring agents | |||
| Recommendation for (E)-2-hexenoic acid usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 16.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 36.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 5.00000 | |
| beverages(nonalcoholic): | - | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 1.00000 | |
| condiments / relishes: | - | 50.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | 50.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | 5.00000 | |
| fruit ices: | - | 5.00000 | |
| gelatins / puddings: | - | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.00000 | |
| 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: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,ß-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):13419-69-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5282707 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2829 |
| WGK Germany:3 |
| (E)-hex-2-enoic acid |
| Chemidplus:0013419697 |