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ethyl crotonate
General Material Information
| Trivial Name | ethyl crotonate |
| Formula | C6 H10 O2 |
| CAS Number | 10544-63-5 |
| FEMA Number | 3486 |
| ECHA Number | 234-125-9 |
| FDA UNII | Search |
| Beilstein Number | 1720418 |
| COE Number | 2244 |
| xLogP3-AA | 1.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1806 ethyl trans-2-butenoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 623-70-1 ; ETHYL CROTONATE |
| 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 but-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 10544-63-5 |
| Pubchem (cid): | 12191 |
| Pubchem (sid): | 135018036 |
| Pherobase: | View |
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): | HMDB39581 |
| FooDB: | FDB019204 |
| YMDB (Yeast Metabolome Database): | YMDB01379 |
| Export Tariff Code: | 2916.19.7000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 114.14409637451 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.614 to 7.664 |
| Refractive Index | 1.423 to 1.428 @ 20 °C |
| Boiling Point | 136 to 137°C @ 760 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 6.866 mmHg @ 25 °C |
| Flash Point TCC Value | 2.22 °C TCC |
| logP (o/w) | 1.806 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 4259 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fermented | |
| pungent, fruity, acidic, estery, sharp, rummy, cognac, pineapple, meaty | |
| General comment | At 10.00 % in dipropylene glycol. pungent fruity acrid ester |
| Mosciano, Gerard P&F 20, No. 6, 49, (1995) | Pungent, sharp, rum- and cognac-Iike, wth tinny, pineapple, fruity and meaty nuances |
| Flavor Type: Rummy | |
| rummy, cognac, pungent, caramellic, fruity | |
| Mosciano, Gerard P&F 20, No. 6, 49, (1995) | At 10.00 ppm. Rum, cognac and pungent with caramellic and fruity nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Blueberry , Cherry , Citrus , Cucumber , Guava , Orange , Raspberry , Strawberry |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 11 - Highly flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. 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 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: | |
| oral-rat LD50 3000 mg/kg Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 34, Pg. 183, 1979. | |
| Dermal Toxicity: | |
| skin-guinea pig LD50 > 10 mL/kg Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944. | |
| 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 ethyl crotonate usage levels up to: | |||
| 6.0000 % 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: 10 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 20.70000 | |
| beverages(nonalcoholic): | - | 3.00000 | |
| beverages(alcoholic): | - | 4.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 16.10000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 8.40000 | |
| fruit ices: | - | 8.40000 | |
| gelatins / puddings: | - | 5.71000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):10544-63-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12191 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| ethyl but-2-enoate |
| Chemidplus:0010544635 |
| EPA/NOAA CAMEO:hazardous materials |