Isopropyl acetate Chemical Properties

Melting point:

-73 °C

Boiling point:

88.8 °C

Density 

0.872 g/mL at 25 °C(lit.)

vapor density 

3.5 (vs air)

vapor pressure 

47 mm Hg ( 20 °C)

refractive index 

n20/D 1.377(lit.)

FEMA 

2926 | ISOPROPYL ACETATE

Flash point:

62 °F

storage temp. 

Store below +30°C.

solubility 

1 M HCl: soluble50mg/mL, clear to slightly hazy, colorless

form 

Liquid

color 

Clear colorless

Odor

Pleasant, fruity; nonresidual.

Odor Threshold

0.16ppm

explosive limit

1.8%, 37°F

Odor Type

ethereal

Water Solubility 

2.90 g/100 mL

FreezingPoint 

-73.4℃

Sensitive 

Moisture Sensitive

JECFA Number

305

Merck 

14,5205

BRN 

1740761

Exposure limits

TLV-TWA 250 ppm (～950 mg/m³) (ACGIH, MSHA, and OSHA); TLV-STEL 310 ppm (～1185 mg/m³) (ACGIH); IDLH 16,000 ppm (NIOSH).

Stability:

Stable. Flammable - note low flash point. Incompatible with strong oxidizing agents, strong acids, nitrates, alkali metals. May attack some plastics and rubber.

LogP

1.03-1.18 at 20℃

CAS DataBase Reference

108-21-4(CAS DataBase Reference)

NIST Chemistry Reference

Acetic acid, 1-methylethyl ester(108-21-4)

EPA Substance Registry System

Isopropyl acetate (108-21-4)

Safety Information

Hazard Codes 

F,Xi

Risk Statements 

11-36/37/38-67-66-36

Safety Statements 

16-26-36-33-29

RIDADR 

UN 1220 3/PG 2

WGK Germany 

1

RTECS 

AI4930000

Autoignition Temperature

894 °F

TSCA 

Yes

HazardClass 

3

PackingGroup 

II

HS Code 

29153900

Hazardous Substances Data

108-21-4(Hazardous Substances Data)

Toxicity

LD50 orally in rats: 6.75 g/kg (Smyth)

IDLA

1,800 ppm

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Isopropyl acetate Usage And Synthesis

Chemical Properties

Isopropyl acetate is a colourless liquid with an intense, fruity odor. On dilution, it has a sweet apple-like flavor. Miscible with most organic solvents such as alcohols, ketones and ethers. 2.9% (w/w) soluble in water at 20°C. Synthesized by direct acetylation of isopropyl alcohol in the presence of various catalysts: concentrated H2S04, diethyl sulfate, chlorosulfonic acid, and boron trifluoride.

Physical properties

Clear, colorless liquid with an aromatic odor. Experimentally determined detection and recognition odor threshold concentrations were 2.1 mg/m³ (500 ppb_v) and 3.8 mg/m³ (910 ppb_v), respectively (Hellman and Small, 1974).

Occurrence

Reported found in pineapple, pear, cocoa, apple, banana, black currants, grapes, melons, strawberry, cheddar cheese, beer, white wine, red wine, cocoa, honey, soybean, yellow passion fruit, beans, plum brandy and nectarines

Uses

Isopropyl acetate is used as a solvent for nitrocellulose, plastics, oils, and fats, and as a flavoring agent. Isopropyl Acetate is a widely used chemical solvent in organic and industrial syntheses. Also used in the dissolution of gallstones. Environmental contaminants; Food contaminants.

Definition

ChEBI: Isopropyl acetate is a branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle.

Preparation

Isopropyl acetate is prepared from propylene and anhydrous acetic acid in the presence of a catalyst . It may also be produced by direct acetylation of isopropyl alcohol in the presence of various catalysts; concentrated H2SO4, diethyl sulfate, chlorosulfonic acid and boron trifluoride.

Application

Isopropyl acetate is a solvent in chemical industry, especially for cellulose, plastics, waxes, resins, gums, paints, oil and fats. and also as flavoring agent. It is an active component of perfumes and printing inks. It is also employed as an extractant for the preparation of antibiotics, vitamins and hormones.

Aroma threshold values

Detection; 1.7 to 4.4 ppm

Taste threshold values

Taste characteristics at 60 ppm: ethereal, tutti-frutti, with a fruity apple and banana nuance

Synthesis Reference(s)

The Journal of Organic Chemistry, 39, p. 3728, 1974 DOI: 10.1021/jo00939a026

General Description

Isopropyl acetate appears as a clear colorless liquid. Flash point 40°F. Vapors are heavier than air. Contact with the material may irritate skin, eyes or mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used as a solvent.

Air & Water Reactions

Highly flammable. Less dense than water and slightly soluble in water.

Reactivity Profile

Isopropyl acetate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Isopropyl acetate can react vigorously with nitrates, strong oxidizers, strong alkalis and strong acids. Isopropyl acetate may also attack some forms of rubber, plastics and coatings. .

Health Hazard

Isopropyl acetate is an irritant to the eyes,nose, and throat. Liquid irritates eyes but causes no serious injury; may cause dermatitis; no serious effects if swallowed. The acute toxicity in laboratory animals was low. Exposure to highconcentrations in air or ingestion can produce narcotic effects. A 4-hour exposure to aconcentration of 32,000 ppm in air was fatalto rats (ACGIH 1986). The oral LD50 valuein rats is in the range 6000 mg/kg.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Flammability and Explosibility

Highly flammable

Source

Identified among 139 volatile compounds identified in cantaloupe (Cucumis melo var. reticulates cv. Sol Real) using an automated rapid headspace solid phase microextraction method (Beaulieu and Grimm, 2001).

Environmental Fate

Chemical/Physical. Hydrolyzes in water forming isopropyl alcohol and acetic acid (Morrison and Boyd, 1971). The estimated hydrolysis half-life at 25 °C and pH 7 is 8.4 yr (Mabey and Mill, 1978).
At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 319 mg/L. The adsorbability of the carbon used was 137 mg/g carbon (Guisti et al., 1974).

Purification Methods

Wash the acetate with 50% aqueous K2CO3 (to remove acid), then with saturated aqueous CaCl2 (to remove any alcohol). Dry it with CaCl2 and fractionally distil it. [Beilstein 2 IV 141.]

Isopropyl acetate (108-21-4)Related Product Information

• Vinyl acetate
• Isopropyl salicylate
• Isopropyl alcohol
• Isopropyl palmitate
• Isopropyl myristate
• Diisopropyl malonate
• Glatiramer acetate
• Tocopheryl acetate
• Titanium tetraisopropanolate
• Allyl phenoxyacetate
• Dimethyl succinate
• Butyl acetate
• Diisopropyl azodicarboxylate
• Ethyl 2-(Chlorosulfonyl)acetate
• Propyl acetate
• Tris(trimethylsilyl)phosphate
• Methyl acrylate
• Ethyl acetate
• Isopropyl Ethanoate