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propyl 2-furoate
Propyl 2-furoate is an ester of 2-furoic acid with propanol, primarily used as a flavoring agent featuring herbal and phenolic sensory characteristics.
General Material Description
Propyl 2-furoate, also known as propyl 2-furancarboxylate among other synonyms, is an organic ester derived from 2-furoic acid and propanol. It exhibits a clear to slightly colored liquid appearance with a molecular formula of C8H10O3 and a molecular weight of approximately 154.17 g/mol. Sensory analysis identifies propyl 2-furoate by its herbal, sweet, and somewhat earthy odor with phenolic and burnt flavor notes. This compound is part of the chemical group of furan esters, linking it to various naturally occurring and synthetic flavor ingredients. It can be sourced through chemical synthesis involving esterification of 2-furoic acid. For technical reference and further chemical data, information is available via controlled-vocabulary links such as PubChem CID 11982.
Occurrence, Applicability & Potential Uses
Propyl 2-furoate is not significantly documented as a natural biological metabolite but is synthesized for use primarily in the flavor industry. It functions as a flavoring agent imparting herbal and phenolic notes, which makes it suitable for enhancing or modifying flavors in a range of food products. Its roles may extend to serving as a fixer in fragrance applications, although its use for fragrance is generally not recommended. Regulatory bodies such as FEMA (US) assign it the FEMA number 2946, supporting its evaluation and use within established safety guidelines. Additionally, JECFA (FAO/WHO) lists it under flavoring substances with identification number 747, indicating recognition of its use in food flavorings.
Physico-Chemical Properties Summary
Propyl 2-furoate is characterized by a moderate molecular weight of 154.17 g/mol and a molecular structure featuring a furan ring esterified with a propyl group. Its physical properties include a specific gravity ranging from 1.067 to 1.075 measured at 25 °C and a refractive index between 1.471 and 1.475 at 20 °C. The compound's flash point is approximately 82 °C (180 °F), indicating moderate volatility. Water solubility is limited, estimated at 1627 mg/L at 25 °C, while it is soluble in alcohols. A log P value around 2.1 suggests moderate lipophilicity, influencing its behavior in flavor formulations. Vapor pressure at 25 °C is low (0.172 mmHg), contributing to its stability under ambient conditions. The acid value is low, with a maximum of 1 KOH/g, reflecting limited acidity relevant to formulation stability.
FAQ
What is propyl 2-furoate and what are its primary characteristics?
Propyl 2-furoate is an organic ester formed by the combination of 2-furoic acid and propanol. It is primarily used as a flavoring ingredient characterized by herbal, sweet, and earthy odor notes along with phenolic, burnt flavor aspects. The compound is identified chemically by the formula C8H10O3 and has structural features of a furan ring. It appears as a moderately dense liquid with specific gravity approximately 1.07 at room temperature.
How is propyl 2-furoate used and what are its common applications?
Propyl 2-furoate functions largely as a flavoring agent that imparts herbal and phenolic sensory characteristics in food products. Usage includes enhancing flavors in baked goods and condiments at regulated levels. While it can act as a fixer in fragrance formulations, its use as a fragrance is generally not advised. Regulatory status, including FEMA (US) number 2946 and JECFA number 747, supports its controlled application within flavoring substances.
What regulations and safety considerations exist for propyl 2-furoate in flavoring?
Propyl 2-furoate is evaluated by regulatory bodies such as FEMA (US), JECFA (FAO/WHO), and under EU REACH guidelines. It is classified typically under FEMA GRAS status for flavoring purposes with designated usage limits in various food categories, including a maximum level of 0.03 ppm in baked goods. Toxicological data indicate no significant hazards under typical use conditions, with precautionary information readily available in safety data sheets. Usage is monitored to ensure intake remains below thresholds of concern, supporting its acceptance as a flavor additive.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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Literature & References
| propyl furan-2-carboxylate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 615-10-1 |
| Pubchem (cid): | 11982 |
| Pubchem (sid): | 134977293 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Flavoring agent | |
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): | HMDB37724 |
| FooDB: | FDB016854 |
| Export Tariff Code: | 2932.19.5000 |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
General Material Information
| Preferred name | propyl 2-furoate |
| Trivial Name | Propyl 2-furancarboxylate |
| Short Description | 2-furoic acid, propyl ester |
| Formula | C8 H10 O3 |
| CAS Number | 615-10-1 |
| FEMA Number | 2946 |
| Flavis Number | 13.003 |
| ECHA Number | 210-407-7 |
| FDA UNII | 73AJ7QL41Q |
| Nikkaji Number | J49.605G |
| Beilstein Number | 0116684 |
| MDL | MFCD00046108 |
| COE Number | 359 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 747 propyl 2-furoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 615-10-1 ; PROPYL 2-FUROATE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 154.16529846191 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.879 to 8.945 |
| Refractive Index | 1.471 to 1.475 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.172 mmHg @ 25 °C |
| Flash Point TCC Value | 82.22 °C TCC |
| logP (o/w) | 2.121 est |
| Solubility | |
| alcohol | Yes |
| water, 1627 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| sweet, herbal, earthy, chocolate, mushroom | |
| General comment | At 1.00 % in dipropylene glycol. sweet herbal earthy chocolate mushroom |
| Flavor Type: Phenolic | |
| phenolic, burnt | |
| General comment | Phenolic burnt |
Safety Information
Safety information
| Preferred SDS: View | |
| 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: | |
| intraperitoneal-rat LDLo 75 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 174, 1936. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for propyl 2-furoate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.061 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.03000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.20000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.03000 | |
| 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
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 13 (FGE.13); Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 (Commission Regulation (EC) No 1565/2000 of 18 View page or View pdf |
| Flavouring Group Evaluation 66 (FGE.66)[1]:Consideration of furfuryl alcohol and related flavouring substances evaluated by JECFA (55th meeting) structurally related to Furfuryl and furan derivatives with and without additional side chain substituents and heteroatoms evaluated by EFSA in FGE.13 (2005) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
| Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 66, Revision 1 (FGE.66Rev1): Consideration of Furfuryl Alcohol and Related Flavouring Substances Evaluated by JECFA (55th meeting) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 13 Revision 3 (FGE.13Rev3): furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
| 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 :11982 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| propyl furan-2-carboxylate |
| Chemidplus:0000615101 |
| RTECS:LV2022500 for cas# 615-10-1 |