isopropyl acetate

acetic acid, isopropyl ester

CAS: 108-21-4 C5 H10 O2 MW: 102.13310000 ethereal ethereal

Identification

Nameisopropyl acetate
IUPACpropan-2-yl acetate
CAS Number108-21-4
EINECS203-561-1
FDA UNII1Y67AFK870
Molecular FormulaC5 H10 O2
Molecular Weight102.13310000
MDL NumberMFCD00008877
Nikkaji NumberJ2.862B
Beilstein1740761
CoE Number193

Regulatory

JECFA Food Flavoring305 isopropyl acetate
JECFA Food AdditiveIsopropyl Acetate
DG SANTE Food Flavourings09.003 isopropyl acetate
FEMA Number2926
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)108-21-4 ; ISOPROPYL ACETATE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless clear liquid (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed Yes
Specific Gravity 0.87200 to 0.87400 @ 20.00 °C.
Pounds per Gallon - (est). 7.264 to 7.281
Refractive Index 1.37600 to 1.37900 @ 20.00 °C.
Melting Point -73.00 °C. @ 760.00 mm Hg
Boiling Point 88.00 to 89.00 °C. @ 760.00 mm Hg
Acid Value 2.00 max. KOH/g
Vapor Pressure 60.665001 mmHg @ 25.00 °C. (est)
Vapor Density 3.5 ( Air = 1 )
Flash Point 62.00 °F. TCC ( 16.67 °C. )
logP (o/w) 1.139 (est)
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usessolvents

Organoleptic Properties

Odor Description
at 10.00 % in dipropylene glycol.
Etherial, fruity, sweet, banana with a slight chemical nuance
banana; fruity; sweet; ethereal
ETHEREAL, FRUITY, SWEET, BANANA
Taste Description
at 60.00 ppm.
ether tutti frutti chemical

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 [sex: M,F] 6750 mg/kg
Dermal Toxicityskin-rabbit LD50 > 20 ml/kg
Inhalation Toxicityinhalation-rat LC50 50600 mg/m3/8

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryextraction solvents, flavoring agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for isopropyl acetate usage levels up to2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)35.00 (μg/capita/day)
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
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-

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Potential Uses

FR apple FR banana FL cheese FL chocolate cocoa FR currant FR grape FR honey FR peach FR pear FR pineapple FR raspberry FR saffron solvents FL/FR valerian

Natural Occurrence

apple fruit banana fruit cheese cheddar cheese PMC cocoa plant currant fruit grape honey PMC melon PMC pineapple fruit strawberry wild strawberry fruit

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