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phenyl acetaldehyde diethyl acetal
Phenyl acetaldehyde diethyl acetal is a synthetic compound used primarily as a flavor and fragrance agent noted for its fresh green and floral odor profile.
General Material Description
Phenyl acetaldehyde diethyl acetal, also known as 2,2-diethoxyethylbenzene, is a synthetic aromatic compound employed mainly in flavor and fragrance formulations. This ester-like molecule has a molecular formula of C12H18O2 and is characterized by fresh green, bluebell, and floral notes reminiscent of almond and lime blossom. It is synonymously referred to as acetaldehyde, phenyl-, diethyl acetal among others. The compound is a controlled-vocabulary entity listed in PubChem. It is typically synthesized for use in the flavor and fragrance industries rather than being isolated from natural sources.
Occurrence, Applicability & Potential Uses
This compound naturally occurs in alcoholic beverages such as brandy, cognac, rum, sherry, weinbrand, and wine, contributing to their characteristic aromas. Predominantly, phenyl acetaldehyde diethyl acetal is utilized as a flavor and fragrance agent because of its green, floral, and slightly sweet odor qualities. It enhances scents evocative of bluebell, hyacinth, and linden flower. Its applications are subject to IFRA (Global) standards, which recommend usage limits up to 2.0% in fragrance concentrates to ensure consumer safety and product efficacy.
Physico-Chemical Properties Summary
Phenyl acetaldehyde diethyl acetal exhibits a boiling range of approximately 237 to 238°C at standard atmospheric pressure (760 mm Hg) and has a significantly lower boiling point of 91 to 92°C under reduced pressure (8 mm Hg). Its vapor pressure at 25°C is low, about 0.1 mmHg, indicating limited volatility under ambient conditions. The compound displays moderate lipophilicity with an estimated logP value of 3.14, suggesting good solubility in organic solvents such as alcohol but limited solubility in water at about 152 mg/L at 25°C. Its flash point measured at 167°F (75°C) reflects moderate flammability. The molecule’s stability profile implies possible reactivity with alkalis. These properties affect its formulation considerations in flavor and fragrance products, influencing solubility, volatility, and safety during processing.
FAQ
What is phenyl acetaldehyde diethyl acetal and what are its primary uses?
Phenyl acetaldehyde diethyl acetal is a synthetic aromatic compound with the molecular formula C12H18O2. It is primarily used as a flavor and fragrance agent. Its odor is described as fresh, green, and floral, reminiscent of bluebell and almond. This compound enhances the sensory profile of a variety of products, including alcoholic beverages and cosmetic perfumes.
Where does phenyl acetaldehyde diethyl acetal naturally occur, and how is it applied in products?
The compound naturally appears in alcoholic beverages such as brandy, cognac, rum, sherry, weinbrand, and wine, contributing to their distinctive aroma notes. In addition to these natural occurrences, it is synthetically produced for use in flavor formulations and perfuming agents. Its scent profile supports its role in imbuing green and floral characteristics to food and fragrance products.
What regulations govern phenyl acetaldehyde diethyl acetal and how is it sourced safely?
Phenyl acetaldehyde diethyl acetal is regulated under IFRA (Global) standards, which specify a maximum concentration of 2.0% in fragrance concentrates to ensure safe consumer use. Furthermore, FEMA (US) recognizes it under flavoring substances with the FEMA number 4625, acknowledging its general safety in flavor applications. The compound is generally synthesized in controlled industrial environments adhering to chemical safety guidelines, given the absence of specific hazard classifications under OSHA standards.
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): | HMDB41610 |
| FooDB: | FDB021765 |
| Export Tariff Code: | 2911.00.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | phenyl acetaldehyde diethyl acetal |
| Trivial Name | Phenylacetaldehyde diethyl acetal |
| Short Description | 2,2-diethoxyethylbenzene |
| Formula | C12 H18 O2 |
| CAS Number | 6314-97-2 |
| FEMA Number | 4625 |
| ECHA Number | 228-642-9 |
| FDA UNII | YUF33E133Y |
| Nikkaji Number | J104.001D |
| xLogP3-AA | 2.80 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 6314-97-2 ; PHENYLACETALDEHYDE DIETHYL ACETAL |
| Synonyms |
|
Suppliers
| BOC Sciences | CJ Latta & Associates |
| Inoue Perfumery |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 194.27386474609 |
| Boiling Point | 237 to 238°C @ 760 mm Hg |
| Boiling Point | 91 to 92°C @ 8 mm Hg |
| Vapor Pressure | 0.1 mmHg @ 25 °C |
| Flash Point TCC Value | 75 °C TCC |
| logP (o/w) | 3.14 est |
| Solubility | |
| alcohol | Yes |
| water, 152.3 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alkalis | Unspecified |
Organoleptic Properties
| Odor Type: Green | |
| fresh, green, hyacinth, almond, sweet, linden flower | |
| General comment | At 100.00 %. fresh green bluebell almond sweet limeblossom |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Bluebell , Green , Hyacinth , Linden flower |
| Cosmetic purposes | Perfuming agents |
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 phenyl acetaldehyde diethyl acetal usage levels up to: | |||
| 2.0000 % 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.10000 | 1.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | 0.10000 | 1.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | 0.10000 | 1.00000 | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):6314-97-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :80584 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2,2-diethoxyethylbenzene |
| Chemidplus:0006314972 |