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3-heptyl dihydro-5-methyl-2(3H)-furanone
3-Heptyl dihydro-5-methyl-2(3H)-furanone is a lactone with creamy, fruity odor used as a flavor and fragrance agent in the food and cosmetic industries.
General Material Description
3-Heptyl dihydro-5-methyl-2(3H)-furanone is a lactone organic compound characterized by a molecular formula of C12H22O2. This compound appears as a colorless liquid and is recognized for its creamy and fruity organoleptic properties, including waxy and green nuances with hints of citrus and tropical fruit. It is also known under various synonyms such as 3-heptyldihydro-5-methylfuran-2(3H)-one and alpha-heptyl-gamma-valerolactone. Classified in flavor and fragrance applications, it is commonly utilized to replicate tropical fruit notes like mango, melon, and peach. For comprehensive chemical information, reference is made to its entry on PubChem. The compound is generally synthesized for commercial use, drawing on its lactone structure to contribute creamy, fruit-like aromas in various formulations.
Occurrence, Applicability & Potential Uses
This lactone is not widely reported as a natural metabolite but is primarily applied as a flavor and fragrance agent mimicking tropical fruit scents such as mango, melon, orange, peach, and pear. It is used in both flavoring and perfumery to provide creamy, fruity, and waxy notes that enrich product profiles. Under the FEMA (US) standard, it is registered with number 3350 and considered generally recognized as safe (GRAS) when applied within recommended limits. Additionally, IFRA (Global) provides guidelines regulating its maximum usage levels in fragrance concentrates, ensuring safety and consumer protection. Its sensory properties allow formulation versatility in foods, beverages, and personal care products.
Physico-Chemical Properties Summary
3-Heptyl dihydro-5-methyl-2(3H)-furanone exhibits notable physicochemical traits that influence its formulation behavior. It is a colorless liquid with a molecular weight of approximately 198.3 g/mol and a moderately high estimated log P value near 3.5, indicating lipophilicity suitable for blending into oil-phase formulations. Its specific gravity ranges from 0.925 to 0.94 at 25 °C, while refractive index values lie between 1.447 and 1.452 at 20 °C. Vapor pressure is low, measured at 0.002 mmHg at 25 °C, suggesting low volatility under ambient conditions. The flash point is approximately 117 °C (242 °F), and the compound is soluble in alcohol but has limited solubility in water (around 48 mg/L at 25 °C). Shelf life extends beyond 24 months under proper storage, supporting its stability in typical product environments.
FAQ
What is 3-heptyl dihydro-5-methyl-2(3H)-furanone and what are its main sensory characteristics?
3-Heptyl dihydro-5-methyl-2(3H)-furanone is a lactone compound frequently used in flavor and fragrance formulations. It is known for its creamy, fruity aroma with additional green, waxy, and citrus nuances. This compound imparts tropical fruit notes reminiscent of mango, melon, peach, and pear, making it valuable for creating rich, fruity olfactory and flavor profiles in various consumer products.
Where is 3-heptyl dihydro-5-methyl-2(3H)-furanone typically used and what are its application considerations?
This compound is primarily applied as a flavor and fragrance agent in foods, beverages, and perfumery to evoke tropical and creamy fruity notes. It is commonly integrated into formulations where a stable, lipophilic lactone flavor is desirable, such as baked goods, confectionery, and cosmetic fragrances. Due to its physicochemical properties—like moderate lipophilicity, alcohol solubility, and low volatility—it blends effectively in oil-based and aqueous-alcohol systems. Formulators consider its shelf stability and regulatory usage limits when incorporating it into products.
What are the regulatory statuses and sourcing considerations for 3-heptyl dihydro-5-methyl-2(3H)-furanone?
3-Heptyl dihydro-5-methyl-2(3H)-furanone holds the FEMA (US) number 3350 and is listed as generally recognized as safe (GRAS) for use in flavoring substances within specified limits. The IFRA (Global) Code of Practice permits its usage up to 0.8% in fragrance concentrates, aligning with safety assessments. Regulatory evaluations encompass its chemical group classification and toxicological data as summarized by expert panels such as JECFA and RIFM. Commercially, it is produced synthetically for consistent quality and availability, supporting industrial demand in flavor and fragrance manufacturing.
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 |
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): | HMDB37813 |
| FooDB: | FDB016958 |
| Export Tariff Code: | 2932.19.0000 |
| 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 | 3-heptyl dihydro-5-methyl-2(3H)-furanone |
| Trivial Name | 3-Heptyldihydro-5-methyl-2(3H)-furanone |
| Short Description | 3-heptyldihydro-5-methyl-2(3H)-furanone |
| Formula | C12 H22 O2 |
| CAS Number | 40923-64-6 |
| FEMA Number | 3350 |
| Flavis Number | 10.026 |
| ECHA Number | 255-141-2 |
| FDA UNII | B5Z5UJR56Z |
| Nikkaji Number | J294.790K |
| COE Number | 10953 |
| xLogP3-AA | 4.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 244 3-heptyldihydro-5-methyl-2(3H)-furanone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 40923-64-6 ; 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURAN |
| Synonyms |
|
Suppliers
| Alfrebro | BOC Sciences |
| Parchem | Penta International |
| Alfrebro LLC/ Archer Daniels Midland Company | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 198.30574035645 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.697 to 7.822 |
| Refractive Index | 1.447 to 1.452 @ 20 °C |
| Vapor Pressure | 0.002 mmHg @ 25 °C |
| Flash Point TCC Value | 116.67 °C TCC |
| logP (o/w) | 3.496 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Solubility | |
| alcohol | Yes |
| water, 48 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Creamy | |
| creamy, lactonic, green, waxy, gooseberry, plum, kiwi, peach, citrus, fruity | |
| Odor strength | medium |
| Substantivity | 901 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 100.00 %. creamy lactonic green waxy gooseberry plum kiwi peach citrus fruity |
| Mosciano, Gerard P&F 18, No. 4, 51, (1993) | Creamy, lactonic, green, waxy with a citrus fruity nuance |
| Flavor Type: Fruity | |
| fruity, creamy, waxy, green, fatty, oily, cortex, lactonic, citrus, sweet | |
| Luebke, William tgsc, (2021) | Fruity creamy waxy green fatty oily cortex lactonic citrus |
| Mosciano, Gerard P&F 18, No. 4, 51, (1993) | At 20.00 ppm. Fruity, green, sweet, creamy and fatty with a citrus nuance |
Potential Uses
| Applications | |
| Odor purposes | Mango , Melon , Orange , Peach , Pear |
| Flavoring purposes | Tropical |
Safety Information
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 | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 3-heptyl dihydro-5-methyl-2(3H)-furanone usage levels up to: | |||
| 0.8000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.037 (μg/capita/day) | ||
| 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: 6. Update in publication number(s): 7 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.50000 | |
| 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: | - | 1.50000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 1.50000 | |
| milk products: | - | 1.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 1.50000 | |
| 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) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):40923-64-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61990 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-heptyl-5-methyloxolan-2-one |
| Chemidplus:0040923646 |