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ethyl benzoyl acetate
Ethyl benzoyl acetate is a fruity aroma compound commonly used as a flavor and fragrance agent in various food and cosmetic applications.
General Material Description
Ethyl benzoyl acetate is an organic ester with the molecular formula C11H12O3, known for its fruity aromatic properties. This compound appears as a clear liquid and is recognized for contributing cherry, berry, and woody nuances to flavors and fragrances. Synonyms include ethyl beta-oxobenzene propanoate and ethyl 3-oxo-3-phenylpropanoate. It is a synthetic aroma chemical sourced primarily through esterification processes involving benzoyl derivatives and ethanol. The substance is documented in databases such as PubChem and is utilized in perfuming and flavoring formulations. Its sensory profile is characterized by medium intensity fruity notes suitable for enhancing diverse products.
Occurrence, Applicability & Potential Uses
Ethyl benzoyl acetate does not naturally occur in significant concentrations but is employed widely in flavor and fragrance industries. It is approved for use under FEMA (US) guidelines and IFRA (Global) standards, supporting its inclusion in foods, beverages, and cosmetic products. The compound imparts fruity and cherry-like flavor notes to alcoholic beverages such as brandy and whiskey, as well as fruity flavors like grape and raspberry. Its fragrance application encompasses perfuming agents where fruity-woody aromas are desirable. Compliance with regulatory standards ensures its safety and efficacy within recommended concentration limits.
Physico-Chemical Properties Summary
This compound is a relatively low-volatility ester with a boiling point range of 265 to 270°C at atmospheric pressure, and a vapor pressure of 0.008 mmHg at 25°C, indicating limited volatility at room temperature. It has a moderate lipophilicity with a logP value of 1.87, favoring solubility in alcohols while exhibiting limited water solubility. The specific gravity ranges from 1.113 to 1.123 at 25°C, and the refractive index is approximately 1.528 to 1.533 at 20°C. Its flash point is around 147°F (64°C). These properties affect its handling, formulation behavior, and application performance in both flavor and fragrance matrices, favoring use in formulations where controlled release and moderate substantivity are required.
FAQ
What is ethyl benzoyl acetate and what are its main characteristics?
Ethyl benzoyl acetate is an organic ester commonly used as a flavor and fragrance ingredient. It is characterized by a fruity aroma profile with notes reminiscent of cherry and berry, combined with woody nuances. This compound appears as a clear liquid and exhibits moderate odor substantivity at high concentration. It has the molecular formula C11H12O3 and is synthesized through esterification methods. It is known under several synonyms such as ethyl 3-oxo-3-phenylpropanoate and ethyl beta-oxobenzene propanoate.
How is ethyl benzoyl acetate used and where can it be found?
Ethyl benzoyl acetate is primarily applied in the flavor and fragrance industries. It is utilized to impart fruity notes in flavorings, contributing to the taste profiles of brandy, cherry, grape, raspberry, and whiskey. Its fragrance uses involve perfuming agents that require a fruity-woody scent character. The compound is approved for use under FEMA (US) and IFRA (Global) regulations, ensuring its safety in food and cosmetic applications. It is typically incorporated within specified concentration limits to achieve desired sensory effects.
What regulations govern the use of ethyl benzoyl acetate and how is its safety assessed?
Ethyl benzoyl acetate is regulated by multiple agencies including FEMA (US) and IFRA (Global), which set usage levels for food flavorings and fragrance formulations. The compound is evaluated for safety by expert panels that consider toxicological data, including oral LD50 values and exposure assessments. It is listed with CAS number 94-02-0 and has safety classifications noting it as an irritant under European regulations. Usage recommendations typically limit its concentration to 1% in fragrance concentrates, and it is recognized as generally safe within these guidelines. Safety data sheets and regulatory opinions are accessible via ECHA and FDA databases.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB40268 |
| FooDB: | FDB019986 |
| Export Tariff Code: | 2918.30.3000 |
| ChemSpider: | View |
General Material Information
| Preferred name | ethyl benzoyl acetate |
| Trivial Name | Ethyl benzoylacetate |
| Short Description | ethylbenzoyl acetate |
| Formula | C11 H12 O3 |
| CAS Number | 94-02-0 |
| FEMA Number | 2423 |
| Flavis Number | 9.476 |
| ECHA Number | 202-295-3 |
| FDA UNII | K8CHJ4MKM0 |
| Nikkaji Number | J60.326K |
| Beilstein Number | 0389944 |
| MDL | MFCD00009196 |
| COE Number | 627 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 834 ethylbenzoyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 94-02-0 ; ETHYL BENZOYLACETATE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 192.21423339844 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.261 to 9.344 |
| Refractive Index | 1.528 to 1.533 @ 20 °C |
| Boiling Point | 265 to 270°C @ 760 mm Hg |
| Boiling Point | 147 to 148°C @ 11 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.008 mmHg @ 25 °C |
| Vapor Density | 6.6 |
| Flash Point TCC Value | 63.89 °C TCC |
| logP (o/w) | 1.87 |
| Solubility | |
| alcohol | Yes |
| water, 1212 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, cherry, naphthyl, hawthorn, cumin, phenolic, almond, spicy, woody, cherry maraschino cherry, sweet | |
| Odor strength | medium |
| Substantivity | 346 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 100.00 %. fruity cherry naphthyl hawthorn cumin phenolic almond spicy woody maraschino cherry |
| Mosciano, Gerard P&F 20, No. 3, 63, (1995) | Sweet, fruity, naphthyl- and acetophenone-like notes, phenolic and cherry pit notes |
| Flavor Type: Fruity | |
| fruity, cherry, berry, cumin, jammy, tropical, grape, violet, woody, sweet | |
| Luebke, William tgsc, (2021) | Fruity cherry berry cumin jammy tropical grape violet woody |
| Mosciano, Gerard P&F 20, No. 3, 63, (1995) | At 10.00 ppm. Sweet, fruity, cherry, berry-like with woody, jammy notes |
Potential Uses
| Applications | |
| Flavoring purposes | Brandy , Cherry , Grape , Raspberry , Whiskey |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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: | |
| oral-mouse LD50 6800 mg/kg "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 65, 1982. | |
| 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 ethyl benzoyl acetate usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 140.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 0.70000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.00000 | |
| fruit ices: | - | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 10.00000 | |
| 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
| 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) related to Flavouring Group Evaluation 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting), structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16Rev2 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):94-02-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7170 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| ethyl 3-oxo-3-phenylpropanoate |
| Chemidplus:0000094020 |
| RTECS:AF4878000 for cas# 94-02-0 |