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3-heptyldihydro-5-methyl-2(3H)-furanone
Notes:
Flavouring ingredient
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Alfrebro LLC/ Archer Daniels Midland Company Let's get reacquainted Building great taste with aroma chemicals, extracts, and distillates The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals. Email: Sarah Forbis Email: Sales Voice: 513-539-3021 Fax: 513-539-7372 US Voice: 513-539-7373 Newsroom Product(s): 3-HEPTYL DIHYDRO-5-METHYL-2(3H) FURANONE
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 40923-64-6 3-Heptyldihydro-5-methylfuran-2(3H)-one
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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): 08-15000 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE
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| CAS Number: | 40923-64-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 255-141-2 | |
| FDA UNII: | B5Z5UJR56Z | |
| Nikkaji Web: | J294.790K | |
| CoE Number: | 10953 | |
| XlogP3-AA: | 4.30 (est) | |
| Molecular Weight: | 198.30574000 | |
| Formula: | C12 H22 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | JECFA evaluated 3-heptyldihydro-5-methyl-2(3H)-furanone (CASrn as in Register). (R)- or (S)-enantiomer not specified by Register CASrn. | |
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 |
| JECFA Food Flavoring: | 244 3-heptyldihydro-5-methyl-2(3H)-furanone |
| DG SANTE Food Flavourings: | 10.026 3-heptyldihydro-5-methyl-2(3H)-furanone |
| FEMA Number: | 3350 3-heptyldihydro-5-methyl-2(3H)-furanone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 40923-64-6 ; 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURAN |
Physical Properties:
| Appearance: | colorless to yellow clear liquid (est) |
| Assay: | 99.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.92500 to 0.94000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.697 to 7.822 |
| Refractive Index: | 1.44700 to 1.45200 @ 20.00 °C. |
| Boiling Point: | 170.00 °C. @ 17.00 mm Hg |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 242.00 °F. TCC ( 116.67 °C. ) |
| logP (o/w): | 3.496 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Soluble in: | |
| alcohol | |
| water, 48 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: creamy | |
| Odor Strength: | medium |
| Substantivity: | 901 hour(s) at 100.00 % |
| creamy lactonic green waxy gooseberry plum kiwi peach citrus fruity | |
| Odor Description: at 100.00 %. | creamy lactonic green waxy gooseberry plum kiwi peach citrus fruity Luebke, William tgsc, (2021) |
| creamy lactonic green waxy citrus fruity | |
| Odor Description: | Creamy, lactonic, green, waxy with a citrus fruity nuance Mosciano, Gerard P&F 18, No. 4, 51, (1993) |
| Flavor Type: fruity | |
| fruity creamy waxy green fatty oily cortex lactonic citrus | |
| Taste Description: | fruity creamy waxy green fatty oily cortex lactonic citrus Luebke, William tgsc, (2021) |
| fruity green sweet creamy fatty citrus | |
| Taste Description: at 20.00 ppm. | Fruity, green, sweet, creamy and fatty with a citrus nuance Mosciano, Gerard P&F 18, No. 4, 51, (1993) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Alfrebro |
| 3-HEPTYL DIHYDRO-5-METHYL-2(3H) FURANONE
Odor: Green, Fatty, Waxy |
| BOC Sciences |
| For experimental / research use only. |
| 3-Heptyldihydro-5-methylfuran-2(3H)-one |
| Parchem |
| 3-heptyl dihydro-5-methyl-2(3H)-furanone |
| Penta International |
| 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE |
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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of lactones used as flavor ingredients. View pdf | |
| 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 |
References:
| 3-heptyl-5-methyloxolan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 40923-64-6 |
| Pubchem (cid): | 61990 |
| Pubchem (sid): | 135019680 |
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 |
Potential Blenders and core components note
Potential Uses:
| mango | FR | |
| melon | FR | |
| orange | FR | |
| peach | FR | |
| pear | FR | |
| tropical | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2(3H)- | furanone, 3-heptyldihydro-5-methyl- |
| 3- | heptyl dihydro-5-methyl furan-2(3H)-one |
| 3- | heptyl dihydro-5-methyl-2(3H) furanone |
| 3- | heptyl-5-methyl oxolan-2-one |
| 3- | heptyl-5-methyl-2,3H-furanone |
| 3- | heptyl-5-methyldihydrofuran-2(3H)-one |
| 3- | heptyl-5-methyloxolan-2-one |
| alpha- | heptyl-gamma-valerolactone |
| alpha-N- | heptyl-gamma-valerolactone |
| 3- | heptyldihydro-5-methyl-2(3H)-furanone |
| 3- | heptyldihydro-5-methylfuran-2(3H)-one |