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ethyl isobutyrate

Chemical Structure

General Material Information

Preferred name ethyl isobutyrate
Trivial Name Ethyl isobutyrate
Short Description isobutyric acid, ethyl ester
Formula C6 H12 O2
CAS Number 97-62-1
FEMA Number 2428
Flavis Number 9.413
ECHA Number 202-595-4
FDA UNII 9A9661LN4H
Nikkaji Number J3.222K
Beilstein Number 0773846
MDL MFCD00009165
COE Number 288
xLogP3-AA 1.50 (est)
NMR Predictor External link
JECFA Food Flavoring 186 ethyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 97-62-1 ; ETHYL ISOBUTYRATE
Synonyms
  • iso butyric acid ethyl ester
  • iso butyric acid ethylester
  • iso butyric acid, ethyl ester
  • ethyl 2-methyl propanoate
  • ethyl 2-methyl propionate
  • ethyl 2-methylpropanoate
  • ethyl 2-methylpropionate
  • ethyl 2,2-dimethyl acetate
  • ethyl 2,2-dimethylacetate
  • ethyl iso butyrate
  • ethyl isobutanoate
  • nat. ethyl isobutyrate
  • ethyl isobutyrate 99%, (naturals)
  • ethyl isobutyrate FCC
  • ethyl isobutyrate FCC natural
  • ethyl isobutyrate natural
  • ethyl isobutyrate, natural
  • ethyl methylpropanoate
  • ethyl-iso-butyrate FCC
  • ethylisobutyrate
  • 2-methyl propanoic acid ethyl ester
  • 2-methyl propionic acid ethyl ester
  • 2-methylpropanoic acid ethyl ester
  • propanoic acid, 2-methyl ethyl ester
  • propanoic acid, 2-methyl-, ethyl ester
  • propionic acid, 2-methyl-, ethyl ester
  • Isobutyric acid, ethyl ester
  • 2-Methylpropanoic acid ethyl ester
  • 2-Methylpropionic acid ethyl ester
  • NSC 97194
  • Ethyl 2-methyl-1-propanoate

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

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Literature & References

Leffingwell:Chirality or Article
ethyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:97-62-1
Pubchem (cid):7342
Pubchem (sid):134970639
Flavornet:97-62-1
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
Publications by PubMed
In situ Metabolic Characteristic Analysis Reveals the Key Yeast in the Spontaneous and Solid-state Fermentation Process of Chinese Light-style Liquor.
Comparative volatile profiles in soy sauce according to inoculated microorganisms.
Potential aromatic compounds as markers to differentiate between Tuber melanosporum and Tuber indicum truffles.
Influence of phenolic compounds on the sensorial perception and volatility of red wine esters in model solution: an insight at the molecular level.
Poly[tri(ethylene glycol) ethyl ether methacrylate]-coated surfaces for controlled fibroblasts culturing.
Airborne molds and bacteria, microbial volatile organic compounds (MVOC), plasticizers and formaldehyde in dwellings in three North European cities in relation to sick building syndrome (SBS).
Characterization of the major odor-active compounds in Thai durian ( Durio zibethinus L. 'Monthong') by aroma extract dilution analysis and headspace gas chromatography-olfactometry.
Identification of aroma-active compounds in Jiashi muskmelon juice by GC-O-MS and OAV calculation.
Automated ARGET ATRP Accelerates Catalyst Optimization for the Synthesis of Thiol-Functionalized Polymers.
Comparative metabolic profiling to investigate the contribution of O. oeni MLF starter cultures to red wine composition.
Main odorants in Jura flor-sherry wines. Relative contributions of sotolon, abhexon, and theaspirane-derived compounds.
Experience influences elemental and configural perception of certain binary odour mixtures in newborn rabbits.
A novel attractant for Anastrepha ludens (Diptera: Tephritidae) from a Concord grape product.
Proportion of odorants impacts the configural versus elemental perception of a binary blending mixture in newborn rabbits.
Comparison of fermented soybean paste (Doenjang) prepared by different methods based on profiling of volatile compounds.
Characterization of odor-active compounds in guava wine.
Responses of Rhynchophorus ferrugineus adults to selected synthetic palm esters: electroantennographic studies and trap catches in an urban environment.
Characterisation of the most odour-active compounds of bone tainted dry-cured Iberian ham.
Identification of odor impact compounds of Tagetes minuta L. essential oil: comparison of two GC-olfactometry methods.
Nitrogen addition influences formation of aroma compounds, volatile acidity and ethanol in nitrogen deficient media fermented by Saccharomyces cerevisiae wine strains.
Examples of perceptive interactions involved in specific "red-" and "black-berry" aromas in red wines.
Characterization of volatile compounds contributing to naturally occurring fruity fermented flavor in peanuts.
Defining the typical aroma of sherry vinegar: sensory and chemical approach.
Characterization of the key aroma compounds in an american bourbon whisky by quantitative measurements, aroma recombination, and omission studies.
Synthesis, alpha 1-adrenoceptor antagonist activity, and SAR study of novel arylpiperazine derivatives of phenytoin.
Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science.
Comparison of the odor-active compounds in unhopped beer and beers hopped with different hop varieties.
Quantification of selected aroma-active compounds in Pinot noir wines from different grape maturities.
Recyclable polymeric pi-acid catalyst effective on Mannich-type reaction in water.
Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer.
Odor-active constituents in fresh pineapple (Ananas comosus [L.] Merr.) by quantitative and sensory evaluation.
Aroma extract dilution analysis of cv. Meeker (Rubus idaeus L.) red raspberries from Oregon and Washington.
Identification of fruity/fermented odorants in high-temperature-cured roasted peanuts.
A study on volatile organic compounds (VOCs) produced by tropical ascomycetous yeasts.
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. laciniatus L.) blackberries.
Chemical and sensorial aroma characterization of freshly distilled Calvados. 2. Identification of volatile compounds and key odorants.
Gas-phase reactivity of the O=P(OCH3)2+ phosphonium ion with aliphatic esters in a quadrupole ion trap. Spontaneous elimination of ketenes.
Evaluation of aroma differences between hand-squeezed juices from Valencia late and Navel oranges by quantitation of key odorants and flavor reconstitution experiments.
Evaluation of key aroma compounds in hand-squeezed grapefruit juice (Citrus paradisi Macfayden) by quantitation and flavor reconstitution experiments.
Volatile flavor components in red fermented soybean (Glycine max) curds.
Comparison of the most odor-active compounds in fresh and dried hop cones (Humulus lupulus L. variety spalter select) based on GC-olfactometry and odor dilution techniques.
Similarities in the aroma chemistry of Gewürztraminer variety wines and lychee (Litchi chinesis sonn.) fruit.
Total Synthesis of Bafilomycin A(1).
Ethyl propionate: Synergistic kairomone for african palm weevil,Rhynchophorus phoenicis L. (Coleoptera: Curculionidae).
Inhibition of lipogenesis in rat brown adipose tissue by clofibrate.
[Impact of odor hedonics on sensory odor intensity--physiological intensity and sensory intensity].
Enhanced peroxisomal beta-oxidation of fatty acids and glutathione metabolism in rats exposed to phenoxyacetic acids.
Hypolipidemia and peroxisome proliferation induced by phenoxyacetic acid herbicides in rats.
Xanthone analogues of clofibrate / Synthesis and biological evaluation as antagonists of lipolysis in vitro.
The mouse as a model for evaluation of hypotriglyceridemic drugs effects of nicotinic acid, clofibrate and ethyl 2-(4-dibenzofuranyloxy)-2-methylpropionate on plasma lipoproteins.
The spontaneously hyperlipidemic old rat as a model for evaluation of hypolipoproteinemic drugs. Effects of nicotinic acid, clofibrate and ethyl 2-(4-dibenzofuranyloxy)-2-methylpropionate on plasma lipoproteins.
Larval osmeterial secretions of the swallowtails (Papilio).
[On the uricosuric activity of etofylline clofibrate (author's transl)].
[Therapeutic experiences in the treatment of hyperlipoproteinaemia with etofylline clofibrate (author's transl)].
[Effect of etofylline clofibrate on the composition of lipoproteins in hyperlipidaemia type IIb and IV (author's transl)].
[On the effect of etofylline clofibrate on serum lipids and lipoproteins in patients with hyperlipoproteinemia of various degrees (author's transl)].
[Clinical effects and tolerance of etofylline clofibrate].
[Metabolism and pharmacokinetics of etofylline clofibrate, new antilipemic].
Effect of etofylline clofibrate on experimental thrombosis and platelet function.
[Evaluation of the antilipaemic potential of etofylline clofibrate, its metabolites and clofibrate in dietary-induced hyperlipidaemia in the rat (author's transl)].
Evaluation of the hypolipaemic activity of etofylline clofibrate, a new ester of etofylline and clofibric acid, and comparison with effects of known hypolipaemic agents.
Hypolipaemic activity of 1-(theophyllin-7-yl)-ethyl-2-[2-(p-chlorophenoxy)-2-methylpropionate] (etofylline clofibrate) and its analogues in normolipaemic rats.
[Pharmacology and toxicology of etofylline clofibrate].
Biopharmaceutic evaluation of etofylline clofibrate and its drug formulation.
Clofibrate-induced increase in coenzyme A concentration in rat tissues.
Potential hypolipidemic agents. XVII. Synthesis and plasma lipid-lowering properties of compounds related to ethyl 2-(4-dibenzofuranyloxy)-2-methylpropionate and ethyl 2-(4-chlorophenoxy)-2-methylpropionate.
1-(Theophyllin-7-yl)-ethyl-2-[2-(p-chlorophenoxy)-2-methylpropionate] (ML 1024), a new hypolipemic agent.
Potential hypolipidemic agents. XIV. Synthesis and plasma lipid-lowering properties of substituted biphenyls, diphenyl ethers and benzofurans related to ethyl 2-(4-dibenzofuranyloxy)-2-methylpropionate.
Hypolipemic activity of clofibrate-related compounds.
Increase in hepatic catalase and glycerol phosphate dehydrogenase activities on administration of clofibrate and clofenapate to the rat.
Ethyl-2-(p-chlorophenoxy)-2-methylpropionate (clofibrate) in experimental fat embolism in rats.
Publications by J-Stage
Comparative Volatile Profiles in Soy Sauce According to Inoculated Microorganisms
Recyclable Polymeric p-Acid Catalyst Effective on Mannich-Type Reaction in Water
Odor-Active Constituents in Fresh Pineapple (Ananas comosus [L.] Merr.) by Quantitative and Sensory Evaluation

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):HMDB31248
FooDB:FDB003278
Export Tariff Code:2915.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 116.16004180908
Specific gravity @ 25 °C
Pounds per Gallon 7.173 to 7.223
Refractive Index 1.385 to 1.391 @ 20 °C
Melting Point -88 to -87°C @ 760 mm Hg
Boiling Point 112 to 113°C @ 760 mm Hg
Boiling Point 40 to 41°C @ 50 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 25.4 mmHg @ 25 °C
Vapor Density 4.01
Flash Point TCC Value 13.89 °C TCC
logP (o/w) 1.648 est
Shelf life 12 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
water, 3172 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, ethereal, fruity, alcoholic, fusel, rummy, pungent
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity 4 hour(s) at 100.00 %
General comment At 10.00 % in dipropylene glycol. sweet ethereal fruity alcoholic fusel rummy
Mosciano, Gerard P&F 22, No. 2, 69, (1997) Sweet, etherial and fruity with pungent, alcoholic, fusel and rummy nuances
Flavor Type: Ethereal
pungent, ethereal, fruity, alliaceous, egg nog
Mosciano, Gerard P&F 22, No. 2, 69, (1997) At 12.50 ppm. Pungent, etherial and fruity with a rum-and egg nog-like nuance
General comment Fruity, sweet

Occurrences

Potential Uses

Applications
Odor purposes Apple, Apricot, Banana, Berry, Blackberry, Cherry, Grape, Honey, Kiwi, Mango, Pear, Pineapple, Raspberry, Saffron, Strawberry, Valerian, Wine
Flavoring purposes Beer, Egg nog, Valerian
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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-rat LD50 > 5000 mg/kg
(Moreno, 1975b)

intraperitoneal-mouse LD50 800 mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 741, 1978.

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 isobutyrate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 640.00 (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: -200.00000
beverages(nonalcoholic): -10.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -25.00000
fruit ices: -25.00000
gelatins / puddings: -6.00000
granulated sugar: --
gravies: --
hard candy: -73.00000
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 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
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):97-62-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7342
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2385
WGK Germany:2
ethyl 2-methylpropanoate
Chemidplus:0000097621
EPA/NOAA CAMEO:hazardous materials
RTECS:NQ4675000 for cas# 97-62-1