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(E)-3-hexenoic acid
General Material Information
| Preferred name | (E)-3-hexenoic acid |
| Trivial Name | trans-3-Hexenoic acid |
| Short Description | trans-3-hexenoic acid |
| Formula | C6 H10 O2 |
| CAS Number | 1577-18-0 |
| FEMA Number | 3170 |
| ECHA Number | 216-417-8 |
| FDA UNII | 9B3N069EDG |
| Nikkaji Number | J98.004H |
| Beilstein Number | 1700862 |
| MDL | MFCD00002786 |
| COE Number | 2256 |
| xLogP3-AA | 1.20 (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
| (E)-hex-3-enoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1577-18-0 |
| Pubchem (cid): | 5282708 |
| Pubchem (sid): | 135051085 |
| Publications by PubMed | |
| Use of long-chain fatty acid-CoA ligase (AMP-forming) from Pseudomonas fragi for the 'in vitro' synthesis of natural penicillins. | |
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): | HMDB10384 |
| Export Tariff Code: | 2916.19.3000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 114.14409637451 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.481 to 8.071 |
| Refractive Index | 1.43 to 1.45 @ 20 °C |
| Melting Point | 11 to 12°C @ 760 mm Hg |
| Boiling Point | 118 to 119°C @ 22 mm Hg |
| Boiling Point | 81 to 92°C @ 2 mm Hg |
| Vapor Pressure | 0.083 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 1.344 est |
| Solubility | |
| alcohol | Yes |
| propylene glycol | Yes |
| water, 7069 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Cheesy | |
| fruity, honey, acidic, cheesy, green, dairy, waxy | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 228 hour(s) at 100.00 % |
| General comment | At 1.00 % in dipropylene glycol. powerful fruity honey acid |
| Mosciano, Gerard P&F 18, No. 1, 43, (1993) | Cheesy, green, dairy-like with a waxy fruity nuance |
| Flavor Type: Green | |
| green, dairy, vegetable, melon | |
| Mosciano, Gerard P&F 18, No. 1, 43, (1993) | At 50.00 ppm. Green, dairy-like with a vegetable and melon nuance |
| Sharp, acidic backnotes of all types of fruits, especially raspberry and strawberry, pineapple, apple, aged cheeses, and other dairy applications. May also be good for honey flavors. | Strong acidic, cheesy character, with honey backnotes |
| General comment | Acidic honey taste of excellent tenacity |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Fruit , Melon , Passion fruit |
| Flavoring purposes | Banana , Berry mixed berry , Cheese , Green , Raspberry , Tomato , Wine sherry wine |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| C - Corrosive. | |
| R 34 - Causes burns. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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)-3-hexenoic acid usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 9.40 (μg/capita/day) | ||
| 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: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 10.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 10.00000 | |
| fruit ices: | - | 10.00000 | |
| gelatins / puddings: | - | 10.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 10.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 50.00000 | |
| 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... |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1577-18-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5282708 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3265 |
| WGK Germany:3 |
| (E)-hex-3-enoic acid |
| Chemidplus:0001577180 |
| RTECS:MP7730000 for cas# 1577-18-0 |