Articles:
| PubMed: | [On the specifity and stereospecificity of the conversion of different 2,3-unsaturated acids by Clostridium kluyveri (author's transl)]. |
ethyl trans-2-methyl-2-pentenoate
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 1617-40-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 216-574-2 | |
| FDA UNII: | Q01A9HRA5X | |
| Nikkaji Web: | J195.241B | |
| XlogP3-AA: | 2.10 (est) | |
| Molecular Weight: | 142.19798000 | |
| Formula: | C8 H14 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1815 ethyl (E)-2-methyl-2-pentenoate |
| FEMA Number: | 4290 ethyl trans-2-methyl-2-pentenoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1617-40-9 ; ETHYL TRANS-2-METHYL-2-PENTENOATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.90400 to 0.91400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.522 to 7.605 |
| Refractive Index: | 1.43600 to 1.44400 @ 20.00 °C. |
| Boiling Point: | 173.00 to 174.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.390000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 139.00 °F. TCC ( 59.44 °C. ) |
| logP (o/w): | 2.931 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 430.2 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity berry rummy | |
| Odor Description: at 10.00 % in propylene glycol. | fruity berry rummy |
| Flavor Type: fruity | |
| fruity berry | |
| Taste Description: | fruity berry |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| Ethyl (E)-2-methyl-2-pentenoate | |
| Odor Description: | sweet berry-like odor with rum note Used as an enhancer for fruity fragrances. |
| Taste Description: | fruity For fruity applications. |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| ethyl (E)-2-methyl-2-pentenoate |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| 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 ethyl (E)-2-methyl-2-pentenoate usage levels up to: | |||
| not for fragrance use. | |||
| 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: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 2.00000 | 20.00000 | |
| beverages(alcoholic): | 2.00000 | 20.00000 | |
| breakfast cereal: | 10.00000 | 20.00000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 2.00000 | 10.00000 | |
| fruit ices: | 2.00000 | 15.00000 | |
| gelatins / puddings: | 5.00000 | 25.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 10.00000 | 25.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 5.00000 | 20.00000 | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 2.00000 | 10.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 100.00000 | 1000.00000 | |
| snack foods: | - | - | |
| soft candy: | 5.00000 | 25.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6436311 |
| National Institute of Allergy and Infectious Diseases: | Data |
| ethyl (E)-2-methylpent-2-enoate | |
| Chemidplus: | 0001617409 |
References:
| ethyl (E)-2-methylpent-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6436311 |
| Pubchem (sid): | 135032530 |
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): | HMDB32278 |
| FooDB: | FDB009410 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| fruit | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| ethyl (2E)-2-methylpent-2-enoate | |
| ethyl (E)-2-methyl pent-2-en-1-oate | |
| ethyl (E)-2-methylpent-2-en-1-oate | |
| ethyl (E)-2-methylpent-2-enoate | |
| ethyl 2-methyl-2(E)-pentonoate | |
| ethyl trans-2-methyl-2-pentenoate | |
| 2- | pentenoic acid, 2-methyl-, ethyl ester, (2E)- |
| 2- | pentenoic acid,2-methyl-, ethyl ester, (2E)- |