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methyl pent-4-enoate
Notes:
Used as a food additive [EAFUS]
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 13-62480 METHYL-4-PENTENOATE
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| CAS Number: | 818-57-5 |  3D/inchi
|
| FDA UNII: | G48IPZ8O71 | |
| Nikkaji Web: | J436.466J | |
| MDL: | MFCD03990590 | |
| XlogP3-AA: | 1.20 (est) | |
| Molecular Weight: | 114.14410000 | |
| Formula: | C6 H10 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge 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: | 1616 methyl 4-pentenoate |
| FEMA Number: | 4353 methyl 4-pentenoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 818-57-5 ; METHYL 4-PENTENOATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.92100 to 0.92300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.664 to 7.680 |
| Refractive Index: | 1.41000 to 1.42000 @ 20.00 °C. |
| Boiling Point: | 125.00 to 127.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 43.972000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 84.00 °F. TCC ( 28.89 °C. ) |
| logP (o/w): | 1.454 (est) |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| propylene glycol | |
| water, 3649 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: green | |
| green fruity | |
| Odor Description: at 10.00 % in dipropylene glycol. | green fruit |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 4-Pentenoic acid, methyl ester |
| BOC Sciences |
| For experimental / research use only. |
| Methyl 4-pentenoate |
| Penta International |
| METHYL-4-PENTENOATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Methyl 4-pentenoate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Methyl 4-pentenoate ≥95.0% (GC) |
| TCI AMERICA |
| For experimental / research use only. |
| Methyl 4-pentenoate >98.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. R 36 - Irritating to eyes. 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 36/39 - Wear suitable clothing 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 methyl 4-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: | 2.00000 | 5.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| 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 ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 543664 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 3272 |
| WGK Germany: | 3 |
| methyl pent-4-enoate | |
| Chemidplus: | 0000818575 |
References:
| methyl pent-4-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 543664 |
| Pubchem (sid): | 135326823 |
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): | HMDB40328 |
| FooDB: | FDB020052 |
| Export Tariff Code: | 2916.19.5050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| zanthoxylum planispinum var. dintanensis Search Trop Picture |
Synonyms:
| allyl acetic acid methyl ester | |
| allylacetic acid methyl ester | |
| methyl allyl acetate | |
| methyl allylacetate | |
| methyl pent-4-enoate | |
| 4- | pentenoic acid methyl ester |
| 4- | pentenoic acid, methyl ester |