Articles:
| US Patents: | 3,966,799 - Alkyl esters of 2-methyl-4-pentenoic acid |
| US Patents: | 3,976,801 - Flavoring compositions containing alkyl esters of 2-methyl-4-pentenoic acid |
4-pentenoic acid, 2-methyl-, hexyl ester
Notes:
Flavouring ingredient. Component of *FEMA 3693* used for flavouring chewing gum, confectionery and beverages
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| CAS Number: | 58031-03-1 |  3D/inchi
|
| FDA UNII: | MGQ3MUU64F | |
| Molecular Weight: | 198.30574000 | |
| Formula: | C12 H22 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance 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 |
| FEMA Number: | 3693 hexyl 2-methyl-4-pentenoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 977101-05-5 ; HEXYL 2-METHYL-3(OR 4)-PENTENOATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| alcohol | |
| water, 5.441 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 4-Pentenoic acid, 2-methyl-, hexyl ester |
| BOC Sciences |
| For experimental / research use only. |
| 4-Pentenoic acid, 2-methyl-, hexyl ester |
| Parchem |
| hexyl 2-methyl-4-pentenoate |
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: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for hexyl 2-methyl-4-pentenoate usage levels up to: | |||
| 2.0000 % 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 0.40000 | |
| beverages(alcoholic): | - | 0.40000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 0.40000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.40000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 0.40000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.40000 | |
| 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: | - | 0.40000 | |
| 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 : | 53426766 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2-methylhexyl pent-4-enoate | |
| Chemidplus: | 0058031031 |
References:
| 2-methylhexyl pent-4-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 53426766 |
| Pubchem (sid): | 125699592 |
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): | HMDB40163 |
| FooDB: | FDB019872 |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| hexyl 2-methyl-4-penten-1-oate | |
| (+/-)- | hexyl 2-methyl-4-pentenoate |
| N- | hexyl 2-methyl-4-pentenoate |
| hexyl 2-methyl-4-pentenoate, (+/-)- | |
| hexyl 2-methylpent-4-en-1-oate | |
| hexyl-2-methyl-4-pentenoate | |
| 2- | methyl-4-pentenoic acid hexyl ester |
| 2- | methylhexyl pent-4-enoate |
| 4- | pentenoic acid 2-methyl-hexyl ester |
| 4- | pentenoic acid, 2-methyl-, hexyl ester |