We have found
46590
results matching your criteria.
Please wait while we search...
3-nonanon-1-yl acetate
3-nonanon-1-yl acetate is an acetate ester known for fruity floral and peach odor characteristics, widely used in flavor and fragrance formulations.
General Material Description
3-nonanon-1-yl acetate, also referred to as 1-(acetyloxy)-3-nonanone among various synonyms, is a synthetic organic ester with the molecular formula C11H20O3. It appears as a colorless to pale yellow liquid with a characteristic fruity floral odor reminiscent of peach and mignonette. This compound belongs to the class of acetate esters, widely recognized for their use in enhancing flavors and fragrances. Its organoleptic qualities include a waxy floral scent which contributes to complex aroma profiles in perfumery and flavor formulations. As a controlled-vocabulary entity, its PubChem entry (CID 12678469) details its molecular structure and physicochemical data. The compound is primarily synthesized for commercial use in flavor and fragrance industries, where it serves as a key ingredient to impart naturalistic fruity and floral notes.
Occurrence, Applicability & Potential Uses
3-nonanon-1-yl acetate is not typically isolated from natural sources but is synthetically produced for application in flavor and fragrance agents. Its occurrence in biological systems is limited; however, its chemical structure aligns with esters commonly found in fruit aromas. This compound finds use in creating scent profiles associated with apricot, carnation, chypre, fern, peach, reseda, and rose notes. Due to its versatile fruity and floral characteristics, it is incorporated into various perfume blends and flavor formulations to evoke natural fruitiness and delicate blossoms. Regulatory use guidelines, such as those prescribed by IFRA (Global), inform its safe application concentrations in consumer products, ensuring compliance with international fragrance safety standards.
Physico-Chemical Properties Summary
3-nonanon-1-yl acetate exhibits physicochemical properties that influence its behavior in formulations. At 25 °C, it possesses a specific gravity of approximately 0.832, indicating its lighter-than-water nature. Its vapor pressure at the same temperature is very low, around 0.004 mmHg, suggesting limited volatility under ambient conditions. The compound has an estimated logP value of 2.76, reflecting moderate lipophilicity which affects its solubility and partitioning in various media. Solubility tests indicate it dissolves readily in alcohol and dipropylene glycol, yet poorly in water, limiting its direct aqueous applications. Its flash point, measured at 244 °F (approximately 118 °C), denotes a moderate flammability risk requiring standard safety precautions during handling and storage. These properties collectively determine its suitability for inclusion in fragrances and flavor vehicles, influencing evaporation rate, olfactory release, and formulation stability.
FAQ
What is 3-nonanon-1-yl acetate and how is it characterized?
3-nonanon-1-yl acetate is an organic ester chemically identified as an acetate derivative of 3-nonanone. It presents as a colorless to pale yellow liquid with a distinctive fruity floral aroma reminiscent of peach and waxy floral notes. This compound belongs to the class of acetate esters commonly used in flavor and fragrance applications because of its appealing scent profile. It is primarily synthesized for commercial purposes rather than isolated from natural sources, and it is indexed in chemical databases such as PubChem under CID 12678469.
Where is 3-nonanon-1-yl acetate commonly used and what are its typical applications?
This compound is predominantly utilized as a flavor and fragrance agent due to its ability to impart fruity and floral characteristics, notably peach-like and mignonette notes. It is incorporated into various aromatic compositions aimed at replicating scents of apricot, carnation, chypre, fern, peach, reseda, and rose. Its compatibility with solvents like alcohol and dipropylene glycol facilitates its incorporation into perfumes and flavor preparations, where it contributes complexity and naturalistic aroma nuances.
What safety and regulatory standards apply to 3-nonanon-1-yl acetate in its usage?
3-nonanon-1-yl acetate is subject to evaluation by regulatory bodies such as IFRA (International Fragrance Association), which issues guidelines on maximum usage levels in fragrances to ensure consumer safety. According to IFRA provisions, usage concentration is restricted to 3% in fragrance concentrates. For flavor applications, the recommended maximum level is 18 ppm in finished products. Available hazard assessments according to OSHA (29 CFR 1910) show no classified hazards or required precautionary statements, though standard handling protocols apply. Extensive toxicological data can be accessed through agencies including EFSA (European Food Safety Authority) and EPA (Environmental Protection Agency) for comprehensive risk evaluation.
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): | HMDB37179 |
| FooDB: | FDB016177 |
| Export Tariff Code: | 2915.39.9050 |
| ChemSpider: | View |
General Material Information
| Preferred name | 3-nonanon-1-yl acetate |
| Trivial Name | 1-(Acetyloxy)-3-nonanone |
| Short Description | (+/-)-nonan-3-yl acetate |
| Formula | C11 H20 O3 |
| CAS Number | 7779-54-6 |
| FDA UNII | Search |
| Nikkaji Number | J1.536.539K |
| COE Number | 2076 |
| xLogP3-AA | 2.20 (est) |
| NMR Predictor | External link |
| FDA Mainterm | 7779-54-6 ; 3-NONANON-1-YL ACETATE |
| Synonyms |
|
Suppliers
| Parchem |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 200.27799987793 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Vapor Pressure | 0.004 mmHg @ 25 °C |
| Flash Point TCC Value | 117.6 °C TCC |
| logP (o/w) | 2.768 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, 520.3 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| fruity, floral, waxy, reseda | |
| General comment | At 100.00 %. fruity floral waxy mignonette |
| Flavor Type: Fruity | |
| peach | |
| General comment | Peach |
Potential Uses
| Applications | |
| Odor purposes | Apricot , Carnation , Chypre , Fern , Peach , Reseda , Rose |
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-nonanon-1-yl acetate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Recommendation for 3-nonanon-1-yl acetate flavor usage levels up to: | |||
| 18.0000 ppm in the finished product. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.00 (μg/capita/day) | ||
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| 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 :12678469 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-oxononyl acetate |
| Chemidplus:0007779546 |