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    General Material Information
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isoamyl propionate

Chemical Structure

General Material Information

Preferred name isoamyl propionate
Trivial Name Isoamyl propionate
Short Description 3-methylbutyl propionate
Formula C8 H16 O2
CAS Number 105-68-0
FEMA Number 2082
Flavis Number 9.136
ECHA Number 203-322-1
FDA UNII 2A8739M82Z
Nikkaji Number J2.852E
Beilstein Number 1747359
MDL MFCD00048611
COE Number 417
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 44 isoamyl propionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 105-68-0 ; ISOAMYL PROPIONATE
Synonyms
  • iso amyl propanoate
  • nat.iso amyl propionate
  • iso amyl propionate (natural)
  • iso amyl propionate 1 peak
  • iso amyl propionate FCC double peak
  • iso amyl propionate natural
  • iso amyl propionate, natural FCC
  • iso- amyl-propionate FCC
  • 1-butanol, 3-methyl-, propanoate
  • 3-methyl butyl propanoate
  • 3-methyl butyl propionate
  • 3-methyl-1-butanol propanoate
  • 3-methyl-1-butyl propanoate
  • 3-methylbutyl propanoate
  • 3-methylbutyl propionate
  • iso pentyl alcohol propionate
  • iso pentyl alcohol, propionate
  • iso pentyl propanoate
  • iso pentyl propionate
  • iso- pentyl propionate
  • propanoato isoamile
  • propionic acid isopentyl ester
  • propionic acid, isopentyl ester
  • 3-methylbutyl propanoate
  • 1-Butanol, 3-methyl-, 1-propanoate
  • Isopentyl alcohol, propionate
  • 1-Butanol, 3-methyl-, propanoate
  • 3-Methylbutyl propionate
  • iso-Pentyl propionate
  • Isopentyl propionate
  • Isoamyl propanoate
  • Isopentyl propanoate
  • NSC 7932
  • 3-Methyl-1-butanol propanoate
  • 3-Methyl-1-butyl propanoate

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Literature & References

3-methylbutyl propanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:105-68-0
Pubchem (cid):7772
Pubchem (sid):134971174
Pherobase:View
Publications by PubMed
Comparative metabolic profiling to investigate the contribution of O. oeni MLF starter cultures to red wine composition.
Chemotactic effect of odorants and tastants on the ciliate Tetrahymena pyriformis.
Nitrogen addition influences formation of aroma compounds, volatile acidity and ethanol in nitrogen deficient media fermented by Saccharomyces cerevisiae wine strains.
A study on volatile organic compounds (VOCs) produced by tropical ascomycetous yeasts.
Characterization of aroma compounds of Chinese famous liquors by gas chromatography-mass spectrometry and flash GC electronic-nose.
Chemotactic effect of odorants and tastants on the ciliate Tetrahymena pyriformis.
Nitrogen addition influences formation of aroma compounds, volatile acidity and ethanol in nitrogen deficient media fermented by Saccharomyces cerevisiae wine strains.
Effect of chain length of alcohol on the lipase-catalyzed esterification of propionic acid in supercritical carbon dioxide.
Biochemical pathways generating post-mortem volatile compounds co-detected during forensic ethanol analyses.
Pharmacokinetics and mammary elimination of imidocarb in sheep and goats.
OSW saponins: facile synthesis toward a new type of structures with potent antitumor activities.
Influence of volatile compounds produced by yeasts predominant during processing of Coffea arabica in East Africa on growth and ochratoxin A (OTA) production by Aspergillus ochraceus.
Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts.
A study on volatile organic compounds (VOCs) produced by tropical ascomycetous yeasts.
Behavior and characteristics of amine derivatives obtained with o-phthaldialdehyde/3-mercaptopropionic acid and with o-phthaldialdehyde/N-acetyl-L-cysteine reagents.
Odor exposure causes central adaptation and morphological changes in selected olfactory glomeruli in Drosophila.
Olfactory discrimination ability for aliphatic esters in squirrel monkeys and humans.
Chemistry of fruit flies: Glandular secretion ofBactrocera (Polistomimetes) visenda (Hardy).
Acetone, methyl ethyl ketone, ethyl acetate, acetonitrile and other polar aprotic solvents are strong inducers of aneuploidy in Saccharomyces cerevisiae.

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):HMDB34164
FooDB:FDB012450
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 144.21391296387
Specific gravity @ 25 °C
Pounds per Gallon 7.198 to 7.264
Specific gravity @ 20 °C
Pounds per Gallon 7.214 to 7.281
Refractive Index 1.404 to 1.408 @ 20 °C
Boiling Point 159 to 161°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 2.356 mmHg @ 25 °C
Vapor Density 4.9
Flash Point TCC Value 47.78 °C TCC
logP (o/w) 2.667 est
Solubility
alcohol Yes
fixed oils Yes
water, 356.7 mg/L @ 25 °C (est) Yes
water No
glycerin No
propylene glycol No
Stability
relatively stable Unspecified

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, banana, pineapple, ripe, fruit tropical fruit, estery, apple, fresh, green, tropical
Odor strength medium
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1997) At 100.00 %. sweet fruity banana pineapple ripe tropical fruit
Mosciano, Gerard P&F 24, No. 2, 49, (1999) At 2.00 %. Sweet, estry, fruity apple, banana with a fresh green slightly tropical nuance
Flavor Type: Fruity
sweet, banana, fruity, tutti frutti, apple, melon, tropical, pineapple
Mosciano, Gerard P&F 24, No. 2, 49, (1999) At 30.00 ppm. Sweet, banana, fruity, tutti frutti, apple, melon, tropical and pineapple-like
General comment BITTERSWEET APRICOT

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
R 10 - Flammable.
R 10 - Flammable.
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.
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.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 809, 1975.

intraperitoneal-rat LD50 2300 mg/kg
Ernaehrungsforschung. Vol. 7, Pg. 211, 1962.

oral-rabbit LD50 6924 mg/kg
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 809, 1975.

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 isoamyl propionate usage levels up to:
8.0000 % 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: -6.10000
beverages(nonalcoholic): -3.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -750.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -13.00000
fruit ices: -13.00000
gelatins / puddings: 0.800003.70000
granulated sugar: --
gravies: --
hard candy: -38.00000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):105-68-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7772
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:1
3-methylbutyl propanoate
Chemidplus:0000105680
RTECS:NT0190000 for cas# 105-68-0