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isopropyl acetate

Chemical Structure

General Material Information

Preferred name isopropyl acetate
Trivial Name Isopropyl acetate
Short Description acetic acid, isopropyl ester
Formula C5 H10 O2
CAS Number 108-21-4
FEMA Number 2926
Flavis Number 9.003
ECHA Number 203-561-1
FDA UNII 1Y67AFK870
Nikkaji Number J2.862B
Beilstein Number 1740761
MDL MFCD00008877
COE Number 193
xLogP3-AA 0.90 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 305 isopropyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 108-21-4 ; ISOPROPYL ACETATE
Synonyms
  • acetic acid 1-methyl ethyl ester
  • acetic acid 1-methylethyl ester
  • acetic acid isopropyl ester
  • acetic acid propan-2-yl ester
  • acetic acid, 1-methylethyl ester
  • acetic acid, isopropyl ester
  • 2-acetoxypropane
  • 1-methyl ethyl acetate
  • 1-methylethyl acetate
  • 1-methylethyl ester of acetic acid
  • paracetat
  • propan-2-yl acetate
  • propan-2-yl ethanoate
  • 2-propyl acetate
  • iso propyl ester of acetic acid
  • iso propyl ethanoate
  • 2-Propyl acetate
  • 2-Acetoxypropane
  • Isopropyl ethanoate
  • 1-Methylethyl acetate
  • NSC 9295

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

Google Scholar Start search
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Perfumer & Flavorists Start search
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Literature & References

propan-2-yl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:108-21-4
Pubchem (cid):7915
Pubchem (sid):134972896
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
Publications by PubMed
Effect of temperature on wet agglomeration of crystals.
Reactions of Cl atoms with alkyl esters: kinetic, mechanism and atmospheric implications.
Theoretical and kinetic study of the hydrogen atom abstraction reactions of esters with H(O.)2 radicals.
Effect of binder liquid type on spherical crystallization.
Potential aromatic compounds as markers to differentiate between Tuber melanosporum and Tuber indicum truffles.
On the mechanism of agglomeration in suspension.
Use of urine volatile organic compounds to discriminate tuberculosis patients from healthy subjects.
Enzymatic Synthesis of Isopropyl Acetate by Immobilized Bacillus cereus Lipase in Organic Medium.
Characterizing workplace exposures in Vietnamese women working in California nail salons.
Development of a quantitative high-performance thin-layer chromatographic method for sucralose in sewage effluent, surface water, and drinking water.
Development of dynamic kinetic resolution on large scale for (±)-1-phenylethylamine.
Enhanced dissolution rate of simvastatin using spherical crystallization technique.
Evaluation of physico-mechanical properties of drug-excipients agglomerates obtained by crystallization.
Design and evaluation of nonfluorous CO2-soluble oligomers and polymers.
Water-immiscible solvents as diluents in reversed-phase liquid chromatography.
A chemoenzymatic approach to enantiomerically pure amines using dynamic kinetic resolution: application to the synthesis of norsertraline.
Final report on the safety assessment of HC Red No. 7.
Evaluation of liquid-liquid extraction process for separating acrylic acid produced from renewable sugars.
SPME-GC determination of potential volatile organic leachables in aqueous-based pharmaceutical formulations packaged in overwrapped LDPE vials.
Mild and general conditions for the cross-coupling of aryl halides with pentafluorobenzene and other perfluoroaromatics.
Metabolite production of yeasts on a strawberry-agar during storage at 7 degrees C in air and low oxygen atmosphere.
NMAM methods update: a laboratory response to concerns about technologically outdated and problematic methods.
Treatment of a low concentration industrial chemicals mixture in an UASB reactor.
Production of volatile compounds in cheese by Pseudomonas fragi strains of dairy origin.
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.
Effectiveness of allyl acetate as a fumigant against five stored grain beetle pests.
Biological activity of phenolic compounds from Alchornea glandulosa.
Chemoenzymatic synthesis and properties of Schiff bases containing (R)-1-(9-anthryl)ethylamine.
Alkali Metal Alkoxide Clusters: Convenient Catalysts for the Synthesis of Methylphosphonates.
Selectivity of Rhizomucor miehei lipase as affected by choice of cosubstrate system in ester modification reactions in organic media.
Improved compression properties of propyphenazone spherical crystals.
Improved dissolution behavior of fenbufen by spherical crystallization.
Ethyl propionate is more effective and less cytotoxic than methyl tert-butyl ether for topical gallstone dissolution.
Purification and Characterization of a Lovastatin Esterase from Clonostachys compactiuscula.
Effects of gallstone solvents on commonly used catheters.
Systemic and local toxicity in the rat of methyl tert-butyl ether: a gallstone dissolution agent.
The acceleration of gallstone destruction with synchronous biliary lithotripsy and contact dissolution in vitro using three cholesterol-solubilizing solvent.
In vitro cholesterol gallstone dissolution: comparison of methyl tert-butyl ether with three new ester solvents.
Determination of nickel in the serum of occupationally exposed workers, by means of flame atomic-absorption spectroscopy.
Aprotic polar solvents inducing chromosomal malsegregation in yeast interfere with the assembly of porcine brain tubulin in vitro.
Gas chromatographic determination of mefloquine in human and dog plasma using electron-capture detection.
Preparation of spherically agglomerated crystals of aminophylline.
Concentration-dependent behavioral changes in mice following short-term inhalation exposure to various industrial solvents.
[Levels of aspartate aminotransferase and alanine aminotransferase in two factories with various hepato-toxic risks].
An example of the oxidative de-esterification of an isopropyl ester. Its role in the metabolism of the herbicide flampropisopropyl.

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31241
FooDB:FDB003268
Export Tariff Code:2915.39.9050
FDA Listing of Food Additive Status:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
•grades or purity: 95-99+% •grades: 95%; 85 to 88%

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 102.13310241699
Specific gravity @ 20 °C
Pounds per Gallon 7.264 to 7.281
Refractive Index 1.376 to 1.379 @ 20 °C
Boiling Point 88 to 89°C @ 760 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 60.665001 mmHg @ 25 °C
Vapor Density 3.5
Flash Point TCC Value 16.67 °C TCC
logP (o/w) 1.139 est
Solubility
alcohol Yes
fixed oils Yes
water, 30900 mg/L @ 20 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Ethereal
ethereal, fruity, sweet, banana, chemical
General comment At 10.00 % in dipropylene glycol. etherial fruity sweet banana chemical
Mosciano, Gerard P&F 15, No. 3, 51, (1990) Etherial, fruity, sweet, banana with a slight chemical nuance
Flavor Type: Ethereal
ethereal, tutti frutti, fruity, apple, banana
Mosciano, Gerard P&F 15, No. 3, 51, (1990) At 60.00 ppm. Etherial, tutti frutti, with a fruity apple and banana nuance
General comment Ether tutti frutti chemical

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Currant, Grape, Honey, Peach, Pear, Pineapple, Raspberry, Saffron, Valerian
Flavoring purposes Cheese, Chocolate cocoa, Valerian
Other purposes Solvents
Cosmetic purposes 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 66 - Repeated exposure may cause skin dryness or cracking.
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 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 29 - Do not empty into drains.
S 33 - Take precautionary measures against static discharge.
S 37/39 - Wear suitable 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.
Oral/Parenteral Toxicity:
oral-rat LD50 [sex: M,F] 6750 mg/kg
(Eder et al., 1982a)

oral-rat LD50 3000 mg/kg
(FDA, 1975a)

oral-rabbit LD50 6945 mg/kg
(Munch, 1972)

oral-rabbit LD50 6946 mg/kg
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

intraperitoneal-rat LD > 174 mg/kg
Journal of Surgical Research. Vol. 53, Pg. 572, 1992.

oral-rat LD50 6750 mg/kg
Union Carbide Data Sheet. Vol. 3/24/1970

Dermal Toxicity:
skin-rabbit LD50 > 20 ml/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Inhalation Toxicity:
inhalation-rat LC50 50600 mg/m3/8
American Industrial Hygiene Association Journal. Vol. 20, Pg. 364, 1959.

inhalation-human TCLo 200 ppm
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960.

Safety in use information

Category:
extraction solvents, flavoring agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isopropyl acetate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 35.00 (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: -75.00000
beverages(nonalcoholic): -16.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -17.00000
fruit ices: -17.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -58.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (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 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):108-21-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7915
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1220
WGK Germany:1
propan-2-yl acetate
Chemidplus:0000108214
EPA/NOAA CAMEO:hazardous materials
RTECS:108-21-4