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phenethyl butyrate
Phenethyl butyrate is a floral, fruity ester used in flavor and fragrance applications derived from butyric acid and phenethyl alcohol.
General Material Description
Phenethyl butyrate is a synthetic butyric acid ester known chemically as butyric acid 2-phenylethyl ester, with molecular formula C12H16O2 and a molecular weight of approximately 192.26 g/mol. This compound appears as a clear liquid with notable floral and fruity olfactory notes, including hints of strawberry and a subtle yeasty nuance. It is recognized by numerous synonyms such as 2-phenylethyl butanoate and benzyl carbinyl butyrate. Phenethyl butyrate is classified under the flavor and fragrance category and is included in controlled chemical vocabularies like ChEBI. It is obtained by esterification of phenethyl alcohol with butyric acid. This ester is commonly used to impart fruity and floral characteristics in flavors and fragrances as well as occurring naturally in various foods and essential oils.
Occurrence, Applicability & Potential Uses
Phenethyl butyrate naturally occurs in diverse foods and botanicals, including beer, cheese, cider, grapes, passion fruit, wild strawberries, and essential oils sourced from plants like geranium and champaca. This presence contributes to characteristic aromatic profiles in these natural products. The compound is widely employed as a flavoring agent to simulate or enhance fruity notes such as apple, peach, pineapple, raspberry, and strawberry, as well as floral nuances like jasmine and rose. It also finds use in perfuming agents within cosmetics and fragrances. Flavor and fragrance uses of phenethyl butyrate are regulated under standards including FEMA (US), which assigns it FEMA number 2861, underscoring its recognized safety and provenance for consumer applications.
Physico-Chemical Properties Summary
Phenethyl butyrate is a moderately high molecular weight ester with a molecular formula of C12H16O2. It exhibits low vapor pressure around 0.007 mmHg at 25°C and a vapor density approximately 6.6 times that of air, indicating moderate volatility suitable for fragrance release. The compound's specific gravity ranges narrowly between 0.989 and 0.998 at 20–25°C, and its refractive index is around 1.49 at 20°C. It shows solubility in alcohols and dipropylene glycol with very limited water solubility, which informs its formulation compatibility in both aqueous and non-aqueous media. The flash point is relatively high at 212°F (100°C), signifying moderate flammability under standard conditions. The logP estimate of ~3.3 indicates moderate lipophilicity favoring fragrance oil matrices. These properties impact its application concentration, stability, and sensory diffusion in formulated products.
FAQ
What is phenethyl butyrate and what are its sensory characteristics?
Phenethyl butyrate is an ester formed from butyric acid and phenethyl alcohol, used primarily as a flavor and fragrance ingredient. It is characterized by floral, fruity odors with sweet, musty nuances resembling strawberry, jasmine, and tropical fruits. Sensory evaluations describe its scent profile as a blend of floral notes with soft fruity and slight yeasty undertones. These properties make it useful for reproducing natural fruit and flower aromas in various consumer products.
Where does phenethyl butyrate occur naturally and how is it used in industry?
This ester is found naturally in several foodstuffs and plant extracts such as beer, cheese, cider, grapes, wild strawberry fruits, champaca concrete, and geranium oils from India. Industrially, phenethyl butyrate is used to flavor foods and beverages, providing fruity and floral notes often associated with apple, peach, pineapple, and rose. It also serves as a perfuming agent in cosmetics and personal care formulations. Its natural occurrence supports its approval in flavor and fragrance applications regulated by agencies like FEMA (US) and JECFA globally.
What regulations and safety standards apply to phenethyl butyrate in flavor and fragrance use?
Phenethyl butyrate is designated as safe for use in flavor and fragrance applications by several regulatory bodies including FEMA (US), JECFA (the Joint FAO/WHO Expert Committee on Food Additives), and REACH (EU). FEMA assigns it number 2861 and has established usage levels within food categories to ensure safe consumption. Safety data indicate it may cause mild irritation to skin and eyes at high concentrations, but typical use levels are well below toxic thresholds. Cosmetic use follows IFRA (Global) guidelines recommending concentrations up to 10% in fragrance concentrates. Safety assessments are based on toxicological studies and monitored intake estimations ensuring compliance with food and fragrance industry standards.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| Perfumer & Flavorists | Start search |
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| NCBI | Start search |
Literature & References
| 2-phenylethyl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 103-52-6 |
| Pubchem (cid): | 7658 |
| Pubchem (sid): | 134972230 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB35014 |
| FooDB: | FDB013619 |
| Export Tariff Code: | 2915.60.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | phenethyl butyrate |
| Trivial Name | 2-Phenylethyl butanoate |
| Short Description | butyric acid 2-phenylethyl ester |
| Formula | C12 H16 O2 |
| CAS Number | 103-52-6 |
| FEMA Number | 2861 |
| Flavis Number | 9.168 |
| ECHA Number | 203-119-8 |
| FDA UNII | 02E08ZN98R |
| Nikkaji Number | J77.613K |
| Beilstein Number | 1955788 |
| MDL | MFCD00048718 |
| COE Number | 506 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 991 phenethyl butyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 103-52-6 ; PHENETHYL BUTYRATE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 192.25791931152 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.229 to 8.296 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.247 to 8.314 |
| Refractive Index | 1.488 to 1.492 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.007 mmHg @ 25 °C |
| Vapor Density | 6.6 |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.317 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, very slightly | Yes |
| water, 44.15 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| musty, sweet, floral, yeasty, strawberry | |
| Luebke, William tgsc, (1987) | At 100.00 %. musty sweet floral yeast strawberry |
| Mosciano, Gerard P&F 15, No. 3, 51, (1990) | Musty, sweet, floral with a slight yeasty nuance |
| Flavor Type: Fruity | |
| fruity, floral, green, tropical, winey | |
| Mosciano, Gerard P&F 15, No. 3, 51, (1990) | At 25.00 ppm. Fruity, floral, green with a tropical winey nuance |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Berry , Bubble gum , Honey , Hyacinth , Jasmin , Passion fruit , Peach , Pineapple , Plum , Raspberry , Rose , Rose tea rose , Strawberry |
| Flavoring purposes | Caramel , Chocolate cocoa |
| 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. | |
| Human Experience: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rabbit LDLo 2000 mg/kg Journal of Economic Entomology. Vol. 48, Pg. 139, 1955. oral-rat LD50 4600 ul/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 889, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5 ml/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 889, 1979. | |
| 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 phenethyl butyrate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 28.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 30.00 (μg/capita/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: | - | 13.00000 | |
| beverages(nonalcoholic): | - | 3.20000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 8.90000 | |
| fruit ices: | - | 8.90000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 13.00000 | |
| 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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - 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 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):103-52-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7658 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2-phenylethyl butanoate |
| Chemidplus:0000103526 |
| RTECS:ET5956200 for cas# 103-52-6 |