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butyl butyrate
Butyl butyrate is a fruity-scented ester used primarily as a flavor and fragrance agent in various products.
General Material Description
Butyl butyrate, also known as butanoic acid butyl ester or butyl butanoate, is a clear, colorless liquid ester with the molecular formula C8H16O2. It exhibits a characteristic fruity aroma reminiscent of banana, pineapple, and other tropical fruits. This compound is widely used as a flavor and fragrance ingredient due to its sweet, fresh, and ethereal sensory profile. It is listed in authoritative chemical databases such as ChEBI under CHEBI:87429. Butyl butyrate occurs naturally in a variety of fruits, including apple, banana, mango, and strawberry, as well as in some flower and oil extracts. Industrially, it is synthesized for use in perfumery and as a flavor additive in food products.
Occurrence, Applicability & Potential Uses
Butyl butyrate naturally occurs in multiple fruits such as banana, apple, mango, and strawberry, as well as in honey and oils like lavandin and osmanthus flower absolute. Because of its appealing fruity odor and flavor, it is applied extensively as a flavoring agent in foodstuffs and beverages as well as a perfuming component in cosmetics. Regulatory bodies including FEMA (US) evaluate butyl butyrate for use in foods and fragrances, establishing usage limits to ensure safety. Its fruity scent profile allows it to be incorporated in formulations aiming to replicate natural fruit aromas, including apple, orange, and pineapple notes, as well as tropical and buttery nuances.
Physico-Chemical Properties Summary
Butyl butyrate is a volatile ester with a molecular weight of approximately 144.21 g/mol and a molecular formula of C8H16O2. It has a specific gravity ranging from 0.867 to 0.871 at 25 °C and a refractive index between 1.405 and 1.407 at 20 °C. Its vapor pressure is measured at 1.81 mmHg at 25 °C, indicating moderate volatility suitable for flavor and fragrance applications. The compound has an estimated logP value of 2.823, reflecting moderate lipophilicity that aids its solubility in alcohol and fixed oils but limited water solubility. Storage guidelines recommend maintaining the compound in cool, dry conditions away from heat and light to preserve stability. The flash point is reported as 121 °F, highlighting its combustible nature and informing handling precautions.
FAQ
What is butyl butyrate and what are its main characteristics?
Butyl butyrate is an ester formed from butyric acid and butanol, recognized for its fruity aroma with notes of banana, pineapple, and other tropical fruits. It appears as a clear, colorless liquid with a moderate fruitiness in both odor and flavor profiles. The compound is widely used as a flavor and fragrance ingredient due to its pleasant and sweet sensory attributes.
Where is butyl butyrate naturally found and how is it used industrially?
This ester occurs naturally in a variety of fruits including apple, banana, mango, peach, and strawberry, as well as in honey and certain floral oils such as lavandin and osmanthus absolutes. Industrially, butyl butyrate is synthesized and applied in food flavorings to impart fruity notes and in perfumes as a scent booster. Its use helps recreate natural fruit aromas in products ranging from beverages to cosmetics.
What are the regulatory standards and safety considerations for butyl butyrate?
Butyl butyrate is recognized by FEMA (US) and other regulatory bodies as a generally safe flavoring substance when used within prescribed limits. Safety assessments indicate it is combustible and classified as a skin irritant under European regulations, requiring proper handling such as wearing gloves and storage away from heat sources. Usage levels in flavor and fragrance formulas follow IFRA (Global) codes, recommending maximum concentrations to avoid adverse effects.
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 |
Literature & References
| butyl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 109-21-7 |
| Pubchem (cid): | 7983 |
| Pubchem (sid): | 134973670 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB39620 |
| FooDB: | FDB019248 |
| YMDB (Yeast Metabolome Database): | YMDB01399 |
| Export Tariff Code: | 2915.60.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
General Material Information
| Preferred name | butyl butyrate |
| Trivial Name | Butyl butyrate |
| Short Description | butanoic acid, butyl ester |
| Formula | C8 H16 O2 |
| CAS Number | 109-21-7 |
| FEMA Number | 2186 |
| Flavis Number | 9.042 |
| ECHA Number | 203-656-8 |
| FDA UNII | 1BHV00T1M4 |
| Nikkaji Number | J2.876B |
| Beilstein Number | 1747101 |
| MDL | MFCD00009450 |
| COE Number | 268 |
| xLogP3-AA | 2.20 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 151 butyl butyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 109-21-7 ; BUTYL BUTYRATE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 144.21391296387 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.214 to 7.248 |
| Refractive Index | 1.405 to 1.407 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 1.81 mmHg @ 25 °C |
| Vapor Density | 4.9 |
| Flash Point TCC Value | 49.44 °C TCC |
| logP (o/w) | 2.823 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 500 mg/L @ 20 °C (exp) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, banana, pineapple, green, cherry, fruit tropical fruit, fruit ripe fruit, juicy fruit, sweet, fresh, ripe | |
| Odor strength | medium |
| Substantivity | 8 hour(s) at 100.00 % |
| Luebke, William tgsc, (2017) | At 100.00 %. fruity banana pineapple green cherry tropical fruit ripe fruit juicy fruit |
| Mosciano, Gerard P&F 17, No. 4, 33, (1992) | Sweet, fruity, fresh, diffusive and ripe |
| Flavor Type: Fruity | |
| sweet, fruity, ethereal, tropical, rummy, cherry, fruit ripe fruit, elderberry, fatty, fresh | |
| Luebke, William tgsc, (2017) | Sweet fruity ethereal tropical rummy cherry ripe fruit elderberry fatty |
| Mosciano, Gerard P&F 17, No. 4, 33, (1992) | At 40.00 ppm. Sweet, fresh, fruity, slightly fatty |
| General comment | Sweet fresh fruity fatty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apricot , Banana , Butter , Butterscotch , Citrus , Fruit juicy fruit , Grape , Green , Mango , Orange , Passion fruit , Pear , Pineapple , Plum , Raspberry , Strawberry , Woodruff |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 37 - Wear suitable gloves. | |
| 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: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rabbit LD50 9520 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. intraperitoneal-rat LD50 2300 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 521, 1979. intraperitoneal-mouse LD50 8900 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 521, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 521, 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 butyl butyrate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 390.00 (μg/capita/day) | ||
| 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: | - | 22.00000 | |
| beverages(nonalcoholic): | - | 8.60000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 150.00000 | 1500.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 22.00000 | |
| fruit ices: | - | 22.00000 | |
| gelatins / puddings: | - | 14.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 24.00000 | |
| 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): |
| Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (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 |
| Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):109-21-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7983 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:2 |
| butyl butanoate |
| Chemidplus:0000109217 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:ES8120000 for cas# 109-21-7 |