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2,6-dimethyl octanal
2,6-dimethyl octanal is a volatile aldehyde used primarily as a flavor and fragrance agent noted for its green, floral, and woody odor characteristics.
General Material Description
2,6-dimethyl octanal is an organic aldehyde with the molecular formula C10H20O, classified chemically as a methylated octanal derivative. This substance is recognized for its characteristic green aroma that combines floral, herbal, and woody nuances, contributing to its utility in fragrance and flavor formulations. It is also identified under synonyms such as 2,6-dimethyloctanal and octanal, 2,6-dimethyl-. The compound is sourced naturally from plants, including Citrus australasica, and is accessible synthetically for use in the aroma industry. For detailed molecular information, this substance links to the PubChem database where comprehensive chemical data are available.
Occurrence, Applicability & Potential Uses
2,6-dimethyl octanal occurs naturally in Citrus australasica, contributing to the plant’s distinctive aroma. It is primarily applied as a flavor and fragrance agent in various consumer products due to its green, herbal, floral, and woody odor qualities. This aldehyde enhances formulations requiring fresh and natural aromatic notes. Usage guidelines are specified under FEMA (US) standards where it holds the FEMA number 2390, reflecting its acceptance as a flavoring substance. Its properties also support roles as an odorant in perfumes and personal care formulations, conforming to fragrance industry regulations.
Physico-Chemical Properties Summary
This compound exhibits a boiling point range near 196 to 197°C at standard atmospheric pressure, indicative of moderate volatility suitable for aroma use. Its vapor pressure at 25°C is 0.369 mmHg, reflecting a controlled evaporation rate that influences scent persistence. The estimated logP of approximately 3.65 suggests a relatively lipophilic character, facilitating strong interaction with nonpolar fragrance matrices and alcohol solvents. It is soluble in alcohols and has limited solubility in water, approximately 58.11 mg/L at 25°C. The flash point, estimated at 76°C (168°F), indicates moderate flammability, meriting standard handling precautions. These physical properties are fundamental for its effective incorporation in flavor and fragrance formulations.
FAQ
What is 2,6-dimethyl octanal and how is it characterized?
2,6-dimethyl octanal is an aldehyde compound characterized by its molecular formula C10H20O and is known for its distinctive green, floral, and woody scent profile. It is used mainly as a flavor and fragrance agent. This compound emerges naturally in certain plants such as Citrus australasica and can also be synthesized. It is recognized under various synonyms including 2,6-dimethyloctanal.
Where is 2,6-dimethyl octanal commonly found and what are its main applications?
This compound naturally occurs in Citrus australasica and is utilized widely in the flavor and fragrance industries. It imparts green, herbal, and woody notes in aroma compositions and flavorings. Its physicochemical properties support its integration mainly in alcoholic solvents for perfumes or food flavoring agents. Regulatory frameworks such as FEMA (US) guide its application limits to ensure safe usage.
What regulations and safety considerations apply to 2,6-dimethyl octanal in flavor and fragrance use?
2,6-dimethyl octanal is assigned FEMA number 2390 and is recognized as Generally Regarded As Safe (GRAS) for flavoring at specified concentrations. It is included in fragrance standards such as those provided by IFRA (Global), which dictate usage levels up to 8% in fragrance concentrates. Safety assessments show no classified hazards under OSHA regulations. Use levels are determined to avoid adverse effects in consumer products, with ongoing monitoring by expert panels.
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): | HMDB37806 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | 2,6-dimethyl octanal |
| Trivial Name | 2,6-Dimethyloctanal |
| Short Description | 2,6-dimethyloctanal |
| Formula | C10 H20 O |
| CAS Number | 7779-07-9 |
| FEMA Number | 2390 |
| Flavis Number | 5.023 |
| FDA UNII | N4726GT28P |
| Nikkaji Number | J1.536.537D |
| COE Number | 112 |
| xLogP3-AA | 3.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 273 2,6-dimethyloctanal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 7779-07-9 ; 2,6-DIMETHYLOCTANAL |
| Synonyms |
|
Suppliers
| BOC Sciences | Parchem |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 156.26860046387 |
| Boiling Point | 196 to 197°C @ 760 mm Hg |
| Vapor Pressure | 0.369 mmHg @ 25 °C |
| Flash Point TCC Value | 75.56 °C TCC |
| logP (o/w) | 3.659 est |
| Solubility | |
| alcohol | Yes |
| water, 58.11 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Green | |
| dry, grassy, weedy, waxy, rose | |
| Luebke, William tgsc, (1988) | At 100.00 %. dry grassy weedy waxy rose |
| Flavor Type: Green | |
| green, fresh, citrus, aldehydic, weedy, waxy, powdery | |
| Luebke, William tgsc, (1988) | Green fresh citrus aldehydic weedy waxy powdery |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Floral , Green , Herbal , Rose , Woody |
| Other purposes | Grass , Weedy |
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 2,6-dimethyl octanal usage levels up to: | |||
| 8.0000 % 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.90000 | |
| beverages(nonalcoholic): | - | 0.44000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.20000 | |
| fruit ices: | - | 3.20000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.90000 | |
| 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 :5463910 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2,6-dimethyloctanal |
| Chemidplus:0007779079 |