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propyl acetate

Chemical Structure

General Material Information

Preferred name propyl acetate
Trivial Name Propyl acetate
Short Description acetic acid, propyl ester
Formula C5 H10 O2
CAS Number 109-60-4
FEMA Number 2925
Flavis Number 9.002
ECHA Number 203-686-1
FDA UNII 4AWM8C91G6
Nikkaji Number J2.877K
Beilstein Number 1740764
MDL MFCD00009372
COE Number 192
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 126 propyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 109-60-4 ; PROPYL ACETATE
Synonyms
  • acetic acid N-propyl ester
  • acetic acid propyl ester
  • acetic acid, n-propyl ester
  • acetic acid, propyl ester
  • 1-acetoxypropane
  • N- propanol acetate
  • 1-propyl acetate
  • N- propyl acetate
  • nat. propyl acetate
  • propyl acetate (natural)
  • propyl acetate natural
  • N- propyl acetate natural
  • N- propyl ester of acetic acid
  • propyl ethanoate
  • N- propyl ethanoate
  • propyl-acetate FCC
  • n-Propyl acetate
  • 1-Propyl acetate
  • 1-Acetoxypropane
  • n-Propanol acetate
  • NSC 72025
  • Acetic acid 1-propyl ester

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

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Literature & References

propyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:109-60-4
Pubchem (cid):7997
Pubchem (sid):134973841
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
Publications by PubMed
Tandem differential mobility spectrometry with ion dissociation in air at ambient pressure and temperature.
Protection efficacy of gloves against components of the solvent in a sprayed isocyanate coating utilizing a reciprocating permeation panel.
In vitro determination of volatile compound development during starter culture-controlled fermentation of Cucurbitaceae cotyledons.
Attractiveness of fermentation and related products to spotted wing Drosophila (Diptera: drosophilidae).
Theoretical and kinetic study of the hydrogen atom abstraction reactions of esters with H(O.)2 radicals.
Solvation Dynamics of a Radical Ion Pair in Micro-Heterogeneous Binary Solvents: A Semi-Quantitative Study Utilizing MARY Line-Broadening Experiments.
Release and uptake of volatile organic compounds by human hepatocellular carcinoma cells (HepG2) in vitro.
Regio- and chemoselective bromination of 2,3-diarylcyclopent-2-en-1-ones.
1-methylcyclopropene effects on temporal changes of aroma volatiles and phytochemicals of fresh-cut cantaloupe.
Volatile sulphur compounds and pathways of L-methionine catabolism in Williopsis yeasts.
Methyl 3-(3-benzoyl-thio-ureido)propano-ate.
Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS).
Determination of antioxidants in new and used lubricant oils by headspace-programmed temperature vaporization-gas chromatography-mass spectrometry.
Effects of microbial inoculants on corn silage fermentation, microbial contents, aerobic stability, and milk production under field conditions.
Identification and characterization of bacteria isolated under selective pressure of volatile organic compounds.
Metabolomics reveals alterations in both primary and secondary metabolites by wine bacteria.
Increased enantioselectivity by engineering bottleneck mutants in an esterase from Pseudomonas fluorescens.
Determination of the volatile composition of Rhodobryum giganteum (Schwaegr.) Par. (Bryaceae) using solid-phase microextraction and gas chromatography/mass spectrometry (GC/MS).
Diversity-oriented synthesis of furo[3,2-f]chromanes with antimycobacterial activity.
SPME-GC determination of potential volatile organic leachables in aqueous-based pharmaceutical formulations packaged in overwrapped LDPE vials.
Genetic diversity of volatile components in Xinjiang Wild Apple (Malus sieversii).
Metabolism of silage alcohols in lactating dairy cows.
Heat capacity of associated systems. Experimental data and application of a two-state model to pure liquids and mixtures.
Olfactory performance of rats after selective deafferentation of the olfactory bulb by 3-methyl indole.
Determination of fragrance allergens in cosmetics by size-exclusion chromatography followed by gas chromatography-mass spectrometry.
Multiple microbial activities for volatile organic compounds reduction by biofiltration.
[Changes in amino acid and fatty acid contents as well as activity of some related enzymes in apple fruit during aroma production].
Kinetic modeling of lipase catalyzed hydrolysis of (R/S)-1-methoxy-2-propyl-acetate as a model reaction for production of chiral secondary alcohols.
Vapor-phase analysis of isobutyl acetate, isopropyl acetate, n-propyl acetate and their respective alcohols using solid-phase microextraction-gas chromatography with a mass selective detector.
Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts.
Effectiveness of allyl acetate as a fumigant against five stored grain beetle pests.
Covalent reaction intermediate revealed in crystal structure of the Geobacillus stearothermophilus carboxylesterase Est30.
Investigation of volatiles in Charentais cantaloupe melons (Cucumis melo Var. cantalupensis). Characterization of aroma constituents in some cultivars.
Expression levels of the yeast alcohol acetyltransferase genes ATF1, Lg-ATF1, and ATF2 control the formation of a broad range of volatile esters.
OMP gene deletion results in an alteration in odorant-induced mucosal activity patterns.
Germination and adhesion of fungal conidia on polycarbonate membranes and on apple fruit exposed to mycoactive acetate esters.
Decreasing the level of ethyl acetate in ethanolic fermentation broths of Escherichia coli KO11 by expression of Pseudomonas putida estZ esterase.
Influence of lipid fraction, emulsifier fraction, and mean particle diameter of oil-in-water emulsions on the release of 20 aroma compounds.
Functional consequences following infection of the olfactory system by intranasal infusion of the olfactory bulb line variant (OBLV) of mouse hepatitis strain JHM.
Integrated bioprocess for enhanced production of natural flavors and fragrances by Ceratocystis moniliformis.
Interactions between artificial saliva and 20 aroma compounds in water and oil model systems.
Selectivity of Rhizomucor miehei lipase as affected by choice of cosubstrate system in ester modification reactions in organic media.
Personal fluoride and solvent exposures, and their determinants, in semiconductor manufacturing.
Phase behavior and component partitioning in low water content amorphous carbohydrates and their potential impact on encapsulation of flavors.
Enantiomers of cis- and trans-3-(4-propyl-cyclopent-2-enyl) propyl acetate. A study on the bioactive conformation and chiral recognition of a moth sex pheromone component.
Biological monitoring of occupational exposure to 1-methoxy-2-propanol.
Identification of n-acetylmethamphetamine in a sample of illicitly synthesized methamphetamine.
A nonlinear regression model applied to kinetic studies of ester hydrolysis with a surface acoustic wave sensor.
A screening procedure for total N-nitroso contaminants in personal care products: results of collaborative studies undertaken by a CTPA Working Group.
Odorant-specific spatial patterns in mucosal activity predict perceptual differences among odorants.
Enhancement of odorant-induced mucosal activity patterns in rats trained on an odorant identification task.
Mucosal inherent activity patterns in the rat: evidence from voltage-sensitive dyes.
Multiple genetic control of acetate-induced olfactory responses in Drosophila melanogaster larvae.
Male-produced aggregation pheromone ofCarpophilus obsoletus (Coleoptera: Nitidulidae).
Effects of gallstone solvents on commonly used catheters.
In vitro cholesterol gallstone dissolution: comparison of methyl tert-butyl ether with three new ester solvents.
A method for establishing a five odorant identification confusion matrix task in rats.
Aggregation pheromone of driedfruit beetle,Carpophilus hemipterus Wind-tunnel bioassay and identification of two novel tetraene hydrocarbons.
Aprotic polar solvents inducing chromosomal malsegregation in yeast interfere with the assembly of porcine brain tubulin in vitro.
[Stability of esters in the blood in vitro].
Anticonvulsant and antiaggressive properties of di-n-propyl acetate after repeated treatment.
[Gas chromatographic determination of propyl acetate in air].
[Accelerating effect of heterocyclic quaternary ammonium salts on neutral ester hydrolysis by acetylcholinesterase and butyrylcholinesterase (author's transl)].
An automated device for screening the effects of psychotropic drugs on aggression and motor activity in mice.
[Gas chromatographic determination of acetic acid esters in the air].
[Daily variations in serum concentration of di-n-propyl-acetate in enteric soluble form (convulex): a study on 30 volunteers (author's transl)].
Pharmacokinetics of sodium valproate in dog and mouse.
Gas-liquid chromatographic determination of solvents in commercial nail lacquer preparations.
Protection from the embryopathic effects of 7-hydroxymethyl-12-methylbenz(a)anthracene by 2-methyl-1,2-bis-(3-pyridyl)1-propanone(metopirone, Ciba) and beta-diethylaminoethyldiphenyl-n-propyl acetate (SKF 525-A).
[Experimental and clinical results of a new anti-epileptic: sodium di-n-propyl acetate (DPA) specialized under the marketed name, Depakine. Second study].
[First clinical results of a new anti-epileptic: sodium di-n-propyl acetate (DPA) specialized under the marketed name, Depakine].
Prevention of the adrenocorticolytic actions of 7,12-dimethylbenz[a]anthracene and 7-hydroxymethyl-12-methylbenz[a]anthracene by beta-diethylaminoethyldiphenyl-n-propyl acetate (SKF 525-A).
[Studies of the synthesis of thiamine and its intermediates. IV. An improved method of the synthesis of alpha-aceto-alpha-chloro-propyl-acetate].
EFFECT OF BETA-DIETHYLAMINOETHYL DIPHENYL-N-PROPYL ACETATE (SKF 525-A) ON THE PLASMA CONCENTRATION OF C14-LABELED NEUROMUSCULAR BLOCKERS.
[Anatomo-pathological changes in experimental amyl, butyl and propyl acetate poisoning].
Inhibitory actions of beta-diethylaminoethyl diphenyl-n-propyl acetate (SKF 525-A) on muscle contraction.
The antitubercular properties of a series of thiols and sulphides.
[Experiments on the antagonistic control of the effects of beta-dimethylaminoethyl diphenyl-propyl-acetate].

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
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB34237
FooDB:FDB012549
YMDB (Yeast Metabolome Database):YMDB01390
Export Tariff Code:2915.39.4510
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 102.13310241699
Specific gravity @ 25 °C
Pounds per Gallon 7.322 to 7.489
Refractive Index 1.378 to 1.388 @ 20 °C
Boiling Point 101 to 102°C @ 760 mm Hg
Boiling Point 32 to 33°C @ 50 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 35.223 mmHg @ 25 °C
Vapor Density 3.5
Flash Point TCC Value 12.78 °C TCC
logP (o/w) 1.24
Solubility
alcohol Yes
water, 18900 mg/L @ 20 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fruity
solvent, celery, fruity, fusel, raspberry, pear, pungent, sweet
General comment At 10.00 % in dipropylene glycol. solvent celery fruity fusel raspberry pear
Mosciano, Gerard P&F 21, No. 5, 49, (1996) Solvent-like pungency, lifting, fusel, amyl alcohol, sweet and fruity
Flavor Type: Estery
estery, fruity, ethereal, tutti frutti, banana, honey
Mosciano, Gerard P&F 21, No. 5, 49, (1996) At 10.00 ppm. Estry, fruity, etherial, tutti-frutti, banana and honey
General comment Fruity, estry, etherial: honey, banana, tutti-fruitti

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Berry, Celery, Cucumber, Currant, Honey, Melon, Raspberry
Flavoring purposes Necterine, Pear emperor pear
Other purposes Solvents
Cosmetic purposes Perfuming agents, Solvents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36 - Irritating to eyes.
R 67 - Vapours may cause frowsiness and dizziness.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 29 - Do not empty into drains.
S 33 - Take precautionary measures against static discharge.
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.
Oral/Parenteral Toxicity:
oral-rat LD50 9370 mg/kg
SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

oral-rabbit LD50 6640 mg/kg
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

oral-mouse LD50 8300 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

intraperitoneal-mouse LD50 1420 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 8, 1961.

Dermal Toxicity:
skin-rabbit LD50 > 20 ml/kg
Union Carbide Data Sheet. Vol. 1/25/1965

subcutaneous-cat LDLo 3000 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.

subcutaneous-guinea pig LDLo 3000 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.

Inhalation Toxicity:
inhalation-cat LCLo 38000 mg/m3/5H
BEHAVIORAL: GENERAL ANESTHETIC BLOOD: OTHER CHANGES GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.

inhalation-human TCLo 1000 mg/m3
SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: COUGH
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.

inhalation-rat LCLo 8000 ppm/4H
American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Safety in use information

Category:
cosmetic, 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 propyl acetate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 180.00 (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: -14.00000
beverages(nonalcoholic): -4.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -16.00000
fruit ices: -16.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -12.00000
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

Risk Assessment of Food Contact Materials
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):109-60-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7997
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1276
WGK Germany:1
propyl acetate
Chemidplus:0000109604
EPA/NOAA CAMEO:hazardous materials
RTECS:109-60-4