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ethyl octanoate

Chemical Structure

General Material Information

Preferred name ethyl octanoate
Trivial Name Ethyl octanoate
Short Description ethyl caprylate
Formula C10 H20 O2
CAS Number 106-32-1
FEMA Number 2449
Flavis Number 9.111
ECHA Number 203-385-5
FDA UNII 81C5MOP582
Nikkaji Number J2.857F
Beilstein Number 1754470
MDL MFCD00009552
COE Number 392
xLogP3-AA 3.50 (est)
NMR Predictor External link
JECFA Food Flavoring 33 ethyl octanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 106-32-1 ; ETHYL OCTANOATE
Synonyms
  • caprylic acid ethyl ester
  • ethyl caprylate
  • ethyl caprylate (octanoate) natural
  • ethyl caprylate ex fusel oil
  • ethyl caprylate FCC
  • ethyl caprylate natural
  • ethyl N-octanoate
  • ethyl octanoate (ethyl caprylate)
  • ethyl octanoate (natural)
  • ethyl octanoate natural
  • ethyl octanoate naturel
  • ethyl octoate
  • ethyl octylate
  • ethyl-caprylate (ethyl-octanoate) FCC
  • ethylcaprylate
  • ethyloctanoate
  • octanoic acid ethyl ester
  • octanoic acid, ethyl ester
  • Et caprylate
  • NSC 8898

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

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Literature & References

ethyl octanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:106-32-1
Pubchem (cid):7799
Pubchem (sid):134971633
Flavornet:106-32-1
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
Publications by PubMed
Influence of phenolic compounds on the sensorial perception and volatility of red wine esters in model solution: An insight at the molecular level.
In-tube Extraction and GC-MS Analysis of Volatile Components from Wild and Cultivated sea buckthorn (Hippophae rhamnoides L. ssp. Carpatica) Berry Varieties and Juice.
Volatile composition of partially fermented wines elaborated from sun dried Pedro Ximénez grapes.
Characterisation of the volatile profile of coconut water from five varieties using an optimised HS-SPME-GC analysis.
Effect of maturity stage and storage on flavor compounds and sensory description of berrycactus (Myrtillocactus geometrizans).
Characterization of the volatile profile of Brazilian Merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection.
Characterization of odor-active compounds in guava wine.
Key aroma components of a dry-cured sausage with high fat content (sobrassada).
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry.
Combining silica-based adsorbents and SPME fibers in the extraction of the volatiles of beer: an exploratory study.
Analysis of Volatile Components of Cape Gooseberry (Physalis peruviana L.) Grown in Turkey by HS-SPME and GC-MS.
Microbial species diversity, community dynamics, and metabolite kinetics of water kefir fermentation.
Enhanced ethyl caproate production of Chinese liquor yeast by overexpressing EHT1 with deleted FAA1.
Effect of five enological practices and of the general phenolic composition on fermentation-related aroma compounds in Mencia young red wines.
Fermentation characteristics of yeasts isolated from traditionally fermented masau (Ziziphus mauritiana) fruits.
Ester synthesis and hydrolysis in an aqueous environment, and strain specific changes during malolactic fermentation in wine with Oenococcus oeni.
Characterization of Muscat wines aroma evolution using comprehensive gas chromatography followed by a post-analytic approach to 2D contour plots comparison.
Effect of storage time and heat processing on the volatile profile of Senegalese sole (Solea senegalensis Kaup, 1858) muscle.
Determination of odor release in hydrocolloid model systems containing original or carboxylated cellulose at different pH values using static headspace gas chromatographic (SHS-GC) analysis.
Effect of foliar urea fertilisation on volatile compounds in Tempranillo wine.
Synthesis of fruity ethyl esters by acyl coenzyme A: alcohol acyltransferase and reverse esterase activities in Oenococcus oeni and Lactobacillus plantarum.
High-cell-density fermentation of Saccharomyces cerevisiae for the optimisation of mead production.
System design for integrated comprehensive and multidimensional gas chromatography with mass spectrometry and olfactometry.
Are the wild and laboratory insect populations different in semiochemical emission? The case of the medfly sex pheromone.
Structural transitions in cholesterol-based wormlike micelles induced by encapsulating alkyl ester oils with varying architecture.
Isolation and identification of host cues from mango, Mangifera indica, that attract gravid female oriental fruit fly, Bactrocera dorsalis.
Microbial ecology studies of spontaneous fermentation: starter culture selection for prickly pear wine production.
Odor potency of aroma compounds in Riesling and Vidal blanc table wines and icewines by gas chromatography-olfactometry-mass spectrometry.
Comparative metabolic profiling to investigate the contribution of O. oeni MLF starter cultures to red wine composition.
Early leaf removal impact on volatile composition of Tempranillo wines.
Impact of cover crops in vineyard on the aroma compounds of Vitis vinifera L. cv Cabernet Sauvignon wine.
Interactions between yeast autolysates and volatile compounds in wine and model solution.
Solubilization of oils or addition of monoglycerides drives the formation of wormlike micelles with an elliptical cross-section in cholesterol-based surfactants: a study by rheology, SANS, and cryo-TEM.
Classification of wines from five Spanish origin denominations by aromatic compound analysis.
Molecular dynamics simulations of the interfacial and structural properties of dimethyldodecylamine-N-oxide micelles.
Volatile compounds of young wines from cabernet sauvignon, cabernet gernischet and chardonnay varieties grown in the loess plateau region of china.
Production of volatile metabolites by grape-associated microorganisms.
Evaluation of the active odorants in Amontillado sherry wines during the aging process.
A comparison of laboratory and pilot-scale fermentations in winemaking conditions.
Construction and co-expression of a polycistronic plasmid encoding carbonyl reductase and glucose dehydrogenase for production of ethyl (S)-4-chloro-3-hydroxybutanoate.
Thermodynamic and structure-property study of liquid-vapor equilibrium for aroma compounds.
An alkaline lipase from organic solvent tolerant Acinetobacter sp. EH28: Application for ethyl caprylate synthesis.
Field evaluation of potential fruit-derived lures for Anastrepha obliqua (Diptera: Tephritidae).
Metabolomics reveals alterations in both primary and secondary metabolites by wine bacteria.
A thermostable alkaline lipase from a local isolate Bacillus subtilis EH 37: characterization, partial purification, and application in organic synthesis.
Characterization of fermentative behaviors of lactic acid bacteria in grape wines through 1H NMR- and GC-based metabolic profiling.
Examples of perceptive interactions involved in specific "red-" and "black-berry" aromas in red wines.
Effects of elevated CO2 on grapevine (Vitis vinifera L.): volatile composition, phenolic content, and in vitro antioxidant activity of red wine.
Characterization of the key aroma compounds in an american bourbon whisky by quantitative measurements, aroma recombination, and omission studies.
Quantitative ester analysis in cachaca and distilled spirits by gas chromatography-mass spectrometry (GC-MS).
Comparison of two extraction methods for evaluation of volatile constituents patterns in commercial whiskeys Elucidation of the main odour-active compounds.
Development of a dynamic headspace solid-phase microextraction procedure coupled to GC-qMSD for evaluation the chemical profile in alcoholic beverages.
Comparative study of aromatic compounds in young red wines from cabernet sauvignon, cabernet franc, and cabernet gernischet varieties in China.
Parameters affecting ethyl ester production by Saccharomyces cerevisiae during fermentation.
Genetic diversity of volatile components in Xinjiang Wild Apple (Malus sieversii).
Headspace-solid phase microextraction-gas chromatography as a tool to define an index that establishes the retention capacity of the wine polymeric fraction towards ethyl esters.
Contribution by Saccharomyces cerevisiae yeast to fermentative flavour compounds in wines from cv. Albariño.
The effect of increased yeast alcohol acetyltransferase and esterase activity on the flavour profiles of wine and distillates.
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades.
Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography-olfactometry and gas chromatography-mass spectrometry.
Characterization of aroma compounds of chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis.
A new potential attractant for Anastrepha obliqua from Spondias mombin fruits.
Effects of droplet crystallization and melting on the aroma release properties of a model oil-in-water emulsion.
Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer.
Volatile constituents of fermented sugar baits and their attraction to lepidopteran species.
Effect of beta-cyclodextrin on aroma release and flavor perception.
Impact odorants of different young white wines from the Canary Islands.
Volatile emissions of navel oranges as predictors of freeze damage.
Quantification of aroma compounds in Parmigiano Reggiano cheese by a dynamic headspace gas chromatography-mass spectrometry technique and calculation of odor activity value.
Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruit puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O.
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry.
Intestinal absorption enhancement of the ester prodrug tenofovir disoproxil fumarate through modulation of the biochemical barrier by defined ester mixtures.
Light scattering investigations on dilute nonionic oil-in-water microemulsions.
Headspace solid phase microextraction (SPME) analysis of flavor compounds in wines. Effect of the matrix volatile composition in the relative response factors in a wine model.
Aroma compounds-proteins interaction using headspace techniques.
Aroma compound sorption by oak wood in a model wine.
Volatile release from an emulsion: headspace and in-mouth studies.
Effect of pH on retention of aroma compounds by beta-lactoglobulin.
Nonionic oil-in-water microemulsions: the effect of oil type on phase behaviour.
Lipase and esterase-catalyzed acylation of hetero-substituted nitrogen nucleophiles in water and organic solvents.
Effect of increased yeast alcohol acetyltransferase activity on flavor profiles of wine and distillates.
Role of Yersinia intermedia and Pseudomonas putida in the development of a fruity off-flavour in pasteurized milk.
Screening, nucleotide sequence, and biochemical characterization of an esterase from Pseudomonas fluorescens with high activity towards lactones.
Effect of oil on the level of solubilization of testosterone propionate into nonionic oil-in-water microemulsions.
Electroantennographic and coupled gas chromatographic-electroantennographic responses of the mediterranean fruit fly,Ceratitis capitata, to male-produced volatiles and mango odor.
Kinetics of acyl transfer reactions in organic media catalysed by Candida antarctica lipase B.
A four-component attractant for the mexican fruit fly,Anastrepha ludens (Diptera: Tephritidae), from host fruit.
Hagen's gland morphology and chemical content analysis for three species of parasitic wasps (Hymenoptera: Braconidae).

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
KEGG (GenomeNet):C12292
HMDB (The Human Metabolome Database):HMDB40195
FooDB:FDB019907
YMDB (Yeast Metabolome Database):YMDB01389
Export Tariff Code:2915.90.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 172.26780700684
Specific gravity @ 25 °C
Pounds per Gallon 7.181 to 7.214
Refractive Index 1.416 to 1.42 @ 20 °C
Melting Point -48 to -47°C @ 760 mm Hg
Boiling Point 206 to 208°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.224 mmHg @ 25 °C
Vapor Density 5.9
Flash Point TCC Value 75 °C TCC
logP (o/w) 3.842 est
Solubility
alcohol Yes
fixed oils Yes
water, 33.39 mg/L @ 25 °C (est) Yes
water, 70.1 mg/L @ 25 °C (exp) Yes

Organoleptic Properties

Odor Type: Waxy
fruity, winey, waxy, sweet, apricot, banana, brandy, pear, musty, pineapple, creamy, dairy
Odor strength medium
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1986) At 100.00 %. fruity wine waxy sweet apricot banana brandy pear
Mosciano, Gerard P&F 22, No. 2, 69, (1997) Waxy, sweet, musty, pineapple and fruity with a creamy, dairy nuance
Flavor Type: Waxy
waxy, fruity, winey, pineapple, creamy, fatty, soapy, cognac, sweet, mushroom
Luebke, William tgsc, (1986) Waxy fruity winey pineapple creamy fatty soapy cognac
Mosciano, Gerard P&F 22, No. 2, 69, (1997) At 7.50 ppm. Sweet, waxy, fruity and pineapple with creamy, fatty, mushroom and cognac notes
Useful in: brown cocoa, brown others, dairy, savory others, fruity citrus, fruity red, fruity yellow, fruity tropical, fruity others, alcoholics. Soapy, brandy, apple

Occurrences

Potential Uses

Applications
Odor purposes Apricot, Banana, Cognac, Guava, Pear, Pineapple, Saffron, Strawberry
Flavoring purposes Cheese, Fruit tropical fruit
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:
2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 25960 mg/kg

oral-rat LD50 25960 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 763, 1976.

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 octanoate usage levels up to:
3.0000 % 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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -11.00000
beverages(nonalcoholic): -4.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 4.0000060.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.40000
fruit ices: -2.40000
gelatins / puddings: 0.100002.70000
granulated sugar: --
gravies: --
hard candy: -9.00000
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 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):106-32-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7799
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
ethyl octanoate
Chemidplus:0000106321
RTECS:RH0680000 for cas# 106-32-1