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butyl butyrate

Chemical Structure

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
  • butanoic acid butyl ester
  • butanoic acid, butyl ester
  • butyl butanoate
  • N- butyl butanoate
  • 1-butyl butyrate
  • N- butyl butyrate
  • nat. butyl butyrate
  • butyl butyrate (natural)
  • butyl butyrate FCC
  • N- butyl butyrate FCC
  • butyl butyrate natural
  • N- butyl butyrate natural
  • butyl butyrate normal FCC
  • butyl butyrate normal natural
  • N- butyl N-butanoate
  • N- butyl N-butyrate
  • butyric acid butyl ester
  • butyric acid N-butyl ester
  • Butyric acid, butyl ester
  • n-Butyl butyrate
  • n-Butyl n-butyrate
  • 1-Butyl butyrate
  • Butyl butylate
  • n-Butyl butanoate
  • NSC 8458

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

butyl butanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:109-21-7
Pubchem (cid):7983
Pubchem (sid):134973670
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
Publications by PubMed
Optimized butyl butyrate synthesis catalyzed by Thermomyces lanuginosus lipase.
Simultaneous Clostridial fermentation, lipase-catalyzed esterification, and ester extraction to enrich diesel with butyl butyrate.
Improved production of butyl butyrate with lipase from Thermomyces lanuginosus immobilized on styrene-divinylbenzene beads.
High-temperature measurements of the reactions of OH with small methyl esters: methyl formate, methyl acetate, methyl propanoate, and methyl butanoate.
Lipase-catalyzed synthesis of butyl butyrate by alcoholysis in an integrated liquid-vapor system.
Identification of host fruit volatiles from three mayhaw species (Crataegus series Aestivales) attractive to mayhaw-origin Rhagoletis pomonella flies in the southern United States.
Identification of fruit volatiles from green hawthorn (Crataegus viridis) and blueberry hawthorn (Crataegus brachyacantha) host plants attractive to different phenotypes of Rhagoletis pomonella flies in the southern United States.
Characterization of aroma compounds of Chinese famous liquors by gas chromatography-mass spectrometry and flash GC electronic-nose.
Rational design of efficient modular cells.
Volatile fingerprint of Brazilian defective coffee seeds: corroboration of potential marker compounds and identification of new low quality indicators.
Delivery of floxuridine derivatives to cancer cells by water-soluble organometallic cages.
Anatomical Variations of Upper Segmental Renal Artery and Clinical Significance.
Effect of glucosamine conjugation to zinc(II) complexes of a bis-pyrazole ligand: syntheses, characterization and anticancer activity.
Identification and field evaluation of pear fruit volatiles attractive to the oriental fruit moth, Cydia molesta.
Pickering emulsions stabilized by surface-modified Fe3O4 nanoparticles.
Covalent attachment of lipases on glyoxyl-agarose beads: application in fruit flavor and biodiesel synthesis.
Characterization of plant-derived lactococci on the basis of their volatile compounds profile when grown in milk.
Does activation of the anti proton, rather than concertedness, determine the stereochemistry of base-catalyzed 1,2-elimination reactions? Anti stereospecificity in E1cB eliminations of β-3-trifluoromethylphenoxy esters, thioesters, and ketones.
Immobilization of Thermomyces lanuginosus lipase by different techniques on Immobead 150 support: characterization and applications.
Characterization of an acidic cold-adapted cutinase from Thielavia terrestris and its application in flavor ester synthesis.
Volatile fragrances associated with flowers mediate host plant alternation of a polyphagous mirid bug.
Regioselective acylation of disaccharides in tert-butyl alcohol catalyzed by Candida antarctica lipase.
Baclofen ester and carbamate prodrug candidates: a simultaneous chromatographic assay, resolution optimized with DryLab.
Nucleophilic addition to 2,3-disubstituted butanal derivatives and their application to natural product synthesis.
Influence of processing on the volatile profile of strawberry spreads made with isomaltulose.
Biochemical characterization of a first fungal esterase from Rhizomucor miehei showing high efficiency of ester synthesis.
Asymmetric synthesis of anti-(2S,3S)- and syn-(2R,3S)-diaminobutanoic acid.
Comparison of volatile components in Chinese traditional pickled peppers using HS-SPME-GC-MS, GC-O and multivariate analysis.
Magnetic Pickering emulsions stabilized by Fe3O4 nanoparticles.
Structural transitions in cholesterol-based wormlike micelles induced by encapsulating alkyl ester oils with varying architecture.
Evaluation of immobilized lipases on poly-hydroxybutyrate beads to catalyze biodiesel synthesis.
Rate coefficients for reactions of OH and Cl with esters.
[Studies on the chemical constituents of rhizoma of Coniogramme japonica].
Profiling fruit volatiles in the progeny of a 'Royal Gala' x 'Granny Smith' apple (Malus x domestica) cross.
Novel syn intramolecular pathway in base-catalyzed 1,2-elimination reactions of beta-acetoxy esters.
Comparative analysis of the volatile fraction from Annona cherimola Mill. cultivars by solid-phase microextraction and gas chromatography-quadrupole mass spectrometry detection.
[Changes in amino acid and fatty acid contents as well as activity of some related enzymes in apple fruit during aroma production].
Systemic and intrathecal effects of a novel series of phospholipase A2 inhibitors on hyperalgesia and spinal prostaglandin E2 release.
Screening of food grade lipases to be used in esterification and interesterification reactions of industrial interest.
Aroma development during ripening of Fragaria chiloensis fruit and participation of an alcohol acyltransferase (FcAAT1) gene.
Discovery of potent and orally available malonyl-CoA decarboxylase inhibitors as cardioprotective agents.
Enzymatic reactions and synthesis of n-butyl caproate: esterification, transesterification and aminolysis using a recombinant lipase from Geobacillus thermoleovorans CCR11.
Diastereoselective hydroxylation of 6-substituted piperidin-2-ones. An efficient synthesis of (2S,5R)-5-hydroxylysine and related alpha-amino acids.
Sex pheromone of the mullein bug,Campylomma verbasci (Meyer) (Heteroptera: Miridae).
Linker-oriented design of binaphthol derivatives for optical resolution using lipase-catalyzed reaction.
Identification of apple volatiles attractive to the apple maggot,Rhagoletis pomonella.
A scanning force microscopy study on the motion of single brush-like macromolecules on a silicon substrate induced by coadsorption of small molecules.
Headspace solid phase microextraction and gas chromatography-olfactometry dilution analysis of young and aged Chinese "Yanghe Daqu" liquors.
Rapid differentiation of new apple cultivars by headspace solid-phase microextraction in combination with chemometrical data processing.
Character impact odorants of the apple cultivars Elstar and Cox Orange.
Assimilation of volatiles from ripe apples by Sporidiobolus salmonicolor and Tilletiopsis washingtonensis.
Wavelength dependence of light-induced lipid oxidation and naturally occurring photosensitizers in cheese.
Changes in the volatile compounds and chemical and physical properties of Kuerle fragrant pear (Pyrus serotina Reld) during storage.
Synthesis and characterization of zinc AP-MOCVD precursors and their utility in the growth of ZnO.
Characterization of aroma compounds of chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis.
Composition of volatiles of banana cultivars from Madeira Island.
Biosynthesis of straight-chain ester volatiles in red delicious and granny smith apples using deuterium-labeled precursors.
An improved method for 14C-labelling of farnesylacetic acid and its geranyl ester.
Attraction and antennal response of the common wasp, Vespula vulgaris (L.), to selected synthetic chemicals in New Zealand beech forests.
Strategies for enzymatic esterification in organic solvents: comparison of microaqueous, biphasic, and micellar systems.
Immobilization of Candida antarctica lipase B by adsorption to green coconut fiber.
Characterization of fermentative behaviors of lactic acid bacteria in grape wines through 1H NMR- and GC-based metabolic profiling.
The effect of ultrasonic pre-treatment on the catalytic activity of lipases in aqueous and non-aqueous media.
Covalent attachment of Candida rugosa lipase on chemically modified hybrid matrix of polysiloxane-polyvinyl alcohol with different activating compounds.
Characterization and utilization of Candida rugosa lipase immobilized on controlled pore silica.
Rice straw as a support for immobilization of microbial lipase.
Aromatic profile of aqueous banana essence and banana fruit by gas chromatography-mass spectrometry (GC-MS) and gas chromatography-olfactometry (GC-O).
Subsegmentation of the human liver.
A comparison of acylation, phosphorylation and binding in related substrates and inhibitors of serum cholinesterase.
Chemesthesis from volatile organic compounds: Psychophysical and neural responses.
Understanding structure-stability relationships of Candida antartica lipase B in ionic liquids.
Criteria to design green enzymatic processes in ionic liquid/supercritical carbon dioxide systems.
Heterologous expression of the Saccharomyces cerevisiae alcohol acetyltransferase genes in Clostridium acetobutylicum and Escherichia coli for the production of isoamyl acetate.
Continuous green biocatalytic processes using ionic liquids and supercritical carbon dioxide.
Esterification activity and stability of Candida rugosa lipase immobilized into chitosan.
Selection of stabilizing additive for lipase immobilization on controlled pore silica by factorial design.
Competitive lipase-catalyzed ester hydrolysis and ammoniolysis in organic solvents; equilibrium model of a solid-liquid-vapor system.
Modification of responses byCampylomma verbasci (Heteroptera: Miridae) to pheromone blends in atmospheres permeated with synthetic sex pheromone or individual components.

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

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

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 ppmaverage maximum ppm
baked goods: -22.00000
beverages(nonalcoholic): -8.60000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 150.000001500.00000
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